2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide

C17H26N2O2 — CID 81388783

IUPAC2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN[C@@H](C)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(14-7-4-3-5-8-14)18-12-17(20)19-15-9-6-10-16(11-15)21-2/h6,9-11,13-14,18H,3-5,7-8,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyOTHBDAOIHOYMOX-ZDUSSCGKSA-N
MW290.41 g/mol
LogP3.19
Rot. Bonds6

About 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide

2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 81388783) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID81388783
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN[C@@H](C)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(14-7-4-3-5-8-14)18-12-17(20)19-15-9-6-10-16(11-15)21-2/h6,9-11,13-14,18H,3-5,7-8,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyOTHBDAOIHOYMOX-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

2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43499874
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468312
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide (CID 81388783) is 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN[C@@H](C)C2CCCCC2)c1.
What is the InChIKey of 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OTHBDAOIHOYMOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(14-7-4-3-5-8-14)18-12-17(20)19-15-9-6-10-16(11-15)21-2/h6,9-11,13-14,18H,3-5,7-8,12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide 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 2-[[(1S)-1-cyclohexylethyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 81388783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).