(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine

C50H72N6O8 — CID 158569614

IUPAC(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine
SMILESCC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC.CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1OC.COc1ccccc1CN
InChIInChI=1S/C28H39N3O5.C14H22N2O2.C8H11NO/c1-4-19(2)22(27(33)29-18-21-12-8-9-13-25(21)35-3)17-24(32)23(16-20-10-6-5-7-11-20)31-28(34)26-14-15-30-36-26;1-4-10(2)13(15)14(17)16-9-11-7-5-6-8-12(11)18-3;1-10-8-5-3-2-4-7(8)6-9/h8-9,12-15,19-20,22-23H,4-7,10-11,16-18H2,1-3H3,(H,29,33)(H,31,34);5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);2-5H,6,9H2,1H3/t19-,22-,23-;10-,13-;/m00./s1
InChIKeyHRXNWCPXHSABEP-IARRFXNQSA-N
MW885.16 g/mol
LogP7.53
Rot. Bonds21

About (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine

(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine (PubChem CID 158569614) has the molecular formula C50H72N6O8 and a molecular weight of 885.16 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine
PubChem CID158569614
Molecular FormulaC50H72N6O8
Molecular Weight885.16 g/mol
Exact Mass884.54
IUPAC Name(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine
SMILESCC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC.CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1OC.COc1ccccc1CN
InChIInChI=1S/C28H39N3O5.C14H22N2O2.C8H11NO/c1-4-19(2)22(27(33)29-18-21-12-8-9-13-25(21)35-3)17-24(32)23(16-20-10-6-5-7-11-20)31-28(34)26-14-15-30-36-26;1-4-10(2)13(15)14(17)16-9-11-7-5-6-8-12(11)18-3;1-10-8-5-3-2-4-7(8)6-9/h8-9,12-15,19-20,22-23H,4-7,10-11,16-18H2,1-3H3,(H,29,33)(H,31,34);5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);2-5H,6,9H2,1H3/t19-,22-,23-;10-,13-;/m00./s1
InChIKeyHRXNWCPXHSABEP-IARRFXNQSA-N
XLogP7.53
TPSA210.13 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.16
LogP ≤ 57.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine with MolForge

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Related Compounds

N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2,3,4-trimethylphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide
CID 157329794
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[(2-propan-2-yloxyphenyl)methylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639803
azane;N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-[(2-propan-2-yloxyphenyl)methylcarbamoyl]octan-2-yl]-1,2-oxazole-5-carboxamide;2-hydroxybenzaldehyde;1-methyl-2-propan-2-yloxybenzene;2-propan-2-yloxybenzaldehyde;(NE)-N-[(2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 172917366
N-[(2S,6S)-5-[[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]methylcarbamoyl]-1-cyclohexyl-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide
CID 158369028
N-[(2S)-1-[[(2S,3S)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56639806
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640042
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[3-(2-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640248
N-[(2S)-1-[[(2S,3S)-1-[4-[2,4-bis(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 134138592
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide
CID 153221313
(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
CID 2713290

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine?
The IUPAC name of (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine (CID 158569614) is (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine.
What is the SMILES notation for (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine?
The canonical SMILES for (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine is CC[C@H](C)[C@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC.CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1OC.COc1ccccc1CN.
What is the InChIKey of (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine?
The InChIKey is HRXNWCPXHSABEP-IARRFXNQSA-N. The full InChI is InChI=1S/C28H39N3O5.C14H22N2O2.C8H11NO/c1-4-19(2)22(27(33)29-18-21-12-8-9-13-25(21)35-3)17-24(32)23(16-20-10-6-5-7-11-20)31-28(34)26-14-15-30-36-26;1-4-10(2)13(15)14(17)16-9-11-7-5-6-8-12(11)18-3;1-10-8-5-3-2-4-7(8)6-9/h8-9,12-15,19-20,22-23H,4-7,10-11,16-18H2,1-3H3,(H,29,33)(H,31,34);5-8,10,13H,4,9,15H2,1-3H3,(H,16,17);2-5H,6,9H2,1H3/t19-,22-,23-;10-,13-;/m00./s1.
What are the key properties of (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine?
(2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine has a molecular weight of 885.16 g/mol, XLogP of 7.53, 21 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide;N-[(2S,5S,6S)-1-cyclohexyl-5-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-3-oxooctan-2-yl]-1,2-oxazole-5-carboxamide;(2-methoxyphenyl)methanamine is sourced from PubChem (CID 158569614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).