(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide

C25H32N2O4 — CID 100511836

IUPAC(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H32N2O4/c1-19(25(29)26-21-9-5-3-6-10-21)27(17-20-13-15-22(30-2)16-14-20)24(28)18-31-23-11-7-4-8-12-23/h4,7-8,11-16,19,21H,3,5-6,9-10,17-18H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyNAURPTGLANQRDH-LJQANCHMSA-N
MW424.54 g/mol
LogP3.94
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide

(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide (PubChem CID 100511836) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
PubChem CID100511836
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
SMILESCOc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H32N2O4/c1-19(25(29)26-21-9-5-3-6-10-21)27(17-20-13-15-22(30-2)16-14-20)24(28)18-31-23-11-7-4-8-12-23/h4,7-8,11-16,19,21H,3,5-6,9-10,17-18H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyNAURPTGLANQRDH-LJQANCHMSA-N
XLogP3.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132615458
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611550
N-cyclopentyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611548
2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 133196631
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
(2R)-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516332
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
2-[benzyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132947942

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide (CID 100511836) is (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide is COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide?
The InChIKey is NAURPTGLANQRDH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19(25(29)26-21-9-5-3-6-10-21)27(17-20-13-15-22(30-2)16-14-20)24(28)18-31-23-11-7-4-8-12-23/h4,7-8,11-16,19,21H,3,5-6,9-10,17-18H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide?
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 100511836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).