(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide

C17H26N2O2 — CID 2351355

IUPAC(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(18-12-14-6-4-3-5-7-14)17(20)19-15-8-10-16(21-2)11-9-15/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyYQSSBJBQQPLIKC-ZDUSSCGKSA-N
MW290.41 g/mol
LogP3.19
Rot. Bonds6

About (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide

(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide (PubChem CID 2351355) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
PubChem CID2351355
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(18-12-14-6-4-3-5-7-14)17(20)19-15-8-10-16(21-2)11-9-15/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyYQSSBJBQQPLIKC-ZDUSSCGKSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
CID 106132783
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(4-methylsulfanylphenyl)propanamide
CID 112811651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide (CID 2351355) is (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)NCC2CCCCC2)cc1.
What is the InChIKey of (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is YQSSBJBQQPLIKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(18-12-14-6-4-3-5-7-14)17(20)19-15-8-10-16(21-2)11-9-15/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide?
(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2351355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).