1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide

C18H28N2O2 — CID 110009499

IUPAC1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NCc2ccc(CO)cc2)CCCCC1
InChIInChI=1S/C18H28N2O2/c1-2-12-19-17(22)18(10-4-3-5-11-18)20-13-15-6-8-16(14-21)9-7-15/h6-9,20-21H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyLRMUEFZTGYIJIK-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.50
Rot. Bonds7

About 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide

1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide (PubChem CID 110009499) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide
PubChem CID110009499
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NCc2ccc(CO)cc2)CCCCC1
InChIInChI=1S/C18H28N2O2/c1-2-12-19-17(22)18(10-4-3-5-11-18)20-13-15-6-8-16(14-21)9-7-15/h6-9,20-21H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyLRMUEFZTGYIJIK-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
CID 110009645
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
CID 111432652
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
1-[(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 120982240
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
3-cyano-N-[1-(propylcarbamoyl)cyclohexyl]benzamide
CID 51107951
1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide
CID 75412190
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide (CID 110009499) is 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1(NCc2ccc(CO)cc2)CCCCC1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide?
The InChIKey is LRMUEFZTGYIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-12-19-17(22)18(10-4-3-5-11-18)20-13-15-6-8-16(14-21)9-7-15/h6-9,20-21H,2-5,10-14H2,1H3,(H,19,22).
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide?
1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methylamino]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 110009499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).