N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide

C29H40N2O4 — CID 102144312

IUPACN-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)N(C(=O)c2ccccc2)[C@H](CC(C)C)C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C29H40N2O4/c1-20(2)18-26(28(32)30-23-14-10-7-11-15-23)31(29(33)22-12-8-6-9-13-22)21(3)25-17-16-24(34-4)19-27(25)35-5/h6,8-9,12-13,16-17,19-21,23,26H,7,10-11,14-15,18H2,1-5H3,(H,30,32)/t21-,26+/m0/s1
InChIKeyJXWRIVWDCGIYPK-HFZDXXHNSA-N
MW480.65 g/mol
LogP5.77
Rot. Bonds10

About N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide

N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 102144312) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID102144312
Molecular FormulaC29H40N2O4
Molecular Weight480.65 g/mol
Exact Mass480.30
IUPAC NameN-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)N(C(=O)c2ccccc2)[C@H](CC(C)C)C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C29H40N2O4/c1-20(2)18-26(28(32)30-23-14-10-7-11-15-23)31(29(33)22-12-8-6-9-13-22)21(3)25-17-16-24(34-4)19-27(25)35-5/h6,8-9,12-13,16-17,19-21,23,26H,7,10-11,14-15,18H2,1-5H3,(H,30,32)/t21-,26+/m0/s1
InChIKeyJXWRIVWDCGIYPK-HFZDXXHNSA-N
XLogP5.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-(4-methoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 98090751
(2S)-N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-3,5-dimethoxyanilino)acetamide
CID 98097765
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877
2-azido-N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-(4-methoxyphenyl)-6-phenylpyrimidine-4-carboxamide
CID 98090745
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 98102497
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
CID 25310056
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
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CID 7580886

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide (CID 102144312) is N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)N(C(=O)c2ccccc2)[C@H](CC(C)C)C(=O)NC2CCCCC2)c(OC)c1.
What is the InChIKey of N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is JXWRIVWDCGIYPK-HFZDXXHNSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-20(2)18-26(28(32)30-23-14-10-7-11-15-23)31(29(33)22-12-8-6-9-13-22)21(3)25-17-16-24(34-4)19-27(25)35-5/h6,8-9,12-13,16-17,19-21,23,26H,7,10-11,14-15,18H2,1-5H3,(H,30,32)/t21-,26+/m0/s1.
What are the key properties of N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide?
N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 480.65 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 102144312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).