2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide

C17H26N2O2 — CID 106132783

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-12-6-8-15(9-7-12)19-17(21)13(2)18-11-14-4-3-5-16(20)10-14/h6-9,13-14,16,18,20H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyCXLQZIQMWOXPOM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide

2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide (PubChem CID 106132783) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
PubChem CID106132783
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-12-6-8-15(9-7-12)19-17(21)13(2)18-11-14-4-3-5-16(20)10-14/h6-9,13-14,16,18,20H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyCXLQZIQMWOXPOM-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
CID 114147705
(2S)-2-(cyclohexylmethylamino)-N-(4-methoxyphenyl)propanamide
CID 2351355
2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
CID 106131934
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
CID 60714008
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 106132313
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide (CID 106132783) is 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is CXLQZIQMWOXPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-8-15(9-7-12)19-17(21)13(2)18-11-14-4-3-5-16(20)10-14/h6-9,13-14,16,18,20H,3-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide?
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 106132783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).