N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide

C30H37N3O5 — CID 1142313

IUPACN-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccc(CN3CCOCC3)o2)o1
InChIInChI=1S/C30H37N3O5/c1-22-12-14-26(37-22)28(29(34)31-24-10-6-3-7-11-24)33(20-23-8-4-2-5-9-23)30(35)27-15-13-25(38-27)21-32-16-18-36-19-17-32/h2,4-5,8-9,12-15,24,28H,3,6-7,10-11,16-21H2,1H3,(H,31,34)/t28-/m1/s1
InChIKeyGFJCBENDUUEBMN-MUUNZHRXSA-N
MW519.64 g/mol
LogP4.85
Rot. Bonds9

About N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide

N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide (PubChem CID 1142313) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
PubChem CID1142313
Molecular FormulaC30H37N3O5
Molecular Weight519.64 g/mol
Exact Mass519.27
IUPAC NameN-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
SMILESCc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccc(CN3CCOCC3)o2)o1
InChIInChI=1S/C30H37N3O5/c1-22-12-14-26(37-22)28(29(34)31-24-10-6-3-7-11-24)33(20-23-8-4-2-5-9-23)30(35)27-15-13-25(38-27)21-32-16-18-36-19-17-32/h2,4-5,8-9,12-15,24,28H,3,6-7,10-11,16-21H2,1H3,(H,31,34)/t28-/m1/s1
InChIKeyGFJCBENDUUEBMN-MUUNZHRXSA-N
XLogP4.85
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3174511
N-benzyl-N-[(1S)-2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 98097292
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3174519
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3666354
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 1142293
N-[2-[benzyl-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211699
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
CID 1155707
N-[(1R)-2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 40784408
(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 25448533
N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3455332
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide (CID 1142313) is N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide is Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccc(CN3CCOCC3)o2)o1.
What is the InChIKey of N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is GFJCBENDUUEBMN-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-22-12-14-26(37-22)28(29(34)31-24-10-6-3-7-11-24)33(20-23-8-4-2-5-9-23)30(35)27-15-13-25(38-27)21-32-16-18-36-19-17-32/h2,4-5,8-9,12-15,24,28H,3,6-7,10-11,16-21H2,1H3,(H,31,34)/t28-/m1/s1.
What are the key properties of N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide?
N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 519.64 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1R)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 1142313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).