N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide

C25H31FN2O3 — CID 7391259

IUPACN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide
SMILESCOCCC(=O)N(c1cccc(C)c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H31FN2O3/c1-18-7-6-10-22(17-18)28(23(29)15-16-31-2)24(19-11-13-20(26)14-12-19)25(30)27-21-8-4-3-5-9-21/h6-7,10-14,17,21,24H,3-5,8-9,15-16H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyBGRMJLUUMHRLEG-XMMPIXPASA-N
MW426.53 g/mol
LogP4.69
Rot. Bonds8

About N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide (PubChem CID 7391259) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide
PubChem CID7391259
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide
SMILESCOCCC(=O)N(c1cccc(C)c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C25H31FN2O3/c1-18-7-6-10-22(17-18)28(23(29)15-16-31-2)24(19-11-13-20(26)14-12-19)25(30)27-21-8-4-3-5-9-21/h6-7,10-14,17,21,24H,3-5,8-9,15-16H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyBGRMJLUUMHRLEG-XMMPIXPASA-N
XLogP4.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-5-oxopentanoic acid
CID 21156879
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 25458672
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(3-methylphenyl)propanamide
CID 3191835
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
N'-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(3,4-dimethylphenyl)-N-pyridin-2-ylpentanediamide
CID 98101835
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197373
4-amino-3-N-cyclohexyl-5-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-(2-phenylethylamino)ethyl]-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 98099386
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318
methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]amino]benzoate
CID 1152875
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25318490
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide (CID 7391259) is N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide is COCCC(=O)N(c1cccc(C)c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide?
The InChIKey is BGRMJLUUMHRLEG-XMMPIXPASA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-18-7-6-10-22(17-18)28(23(29)15-16-31-2)24(19-11-13-20(26)14-12-19)25(30)27-21-8-4-3-5-9-21/h6-7,10-14,17,21,24H,3-5,8-9,15-16H2,1-2H3,(H,27,30)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide?
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide has a molecular weight of 426.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3-methoxy-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7391259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).