3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide

C17H26N2O2 — CID 99611019

IUPAC3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C17H26N2O2/c1-13-6-2-4-8-15(13)19-17(21)10-11-18-16-9-5-3-7-14(16)12-20/h2,4,6,8,14,16,18,20H,3,5,7,9-12H2,1H3,(H,19,21)/t14-,16-/m1/s1
InChIKeyCZIJAFOPDBMLAB-GDBMZVCRSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds6

About 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide

3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide (PubChem CID 99611019) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide
PubChem CID99611019
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C17H26N2O2/c1-13-6-2-4-8-15(13)19-17(21)10-11-18-16-9-5-3-7-14(16)12-20/h2,4,6,8,14,16,18,20H,3,5,7,9-12H2,1H3,(H,19,21)/t14-,16-/m1/s1
InChIKeyCZIJAFOPDBMLAB-GDBMZVCRSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide
CID 109394098
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
CID 131927225
2-[(2-methylcyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 62398147
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8902222
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide (CID 99611019) is 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCN[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide?
The InChIKey is CZIJAFOPDBMLAB-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-2-4-8-15(13)19-17(21)10-11-18-16-9-5-3-7-14(16)12-20/h2,4,6,8,14,16,18,20H,3,5,7,9-12H2,1H3,(H,19,21)/t14-,16-/m1/s1.
What are the key properties of 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide?
3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 99611019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).