4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide

C16H24N2O2 — CID 81413347

IUPAC4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17-15(20)13-5-7-14(8-6-13)18-11-16(12-19)9-3-2-4-10-16/h5-8,18-19H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyMOKVEPBTSPNJGO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds5

About 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide

4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide (PubChem CID 81413347) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
PubChem CID81413347
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC2(CO)CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17-15(20)13-5-7-14(8-6-13)18-11-16(12-19)9-3-2-4-10-16/h5-8,18-19H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyMOKVEPBTSPNJGO-UHFFFAOYSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595
2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-methylbenzenesulfonamide
CID 115360724
2-[4-[[1-(hydroxymethyl)cyclohexyl]methylamino]phenyl]-2-methylpropanenitrile
CID 81400328
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
CID 81400351
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide (CID 81413347) is 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCC2(CO)CCCCC2)cc1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide?
The InChIKey is MOKVEPBTSPNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-15(20)13-5-7-14(8-6-13)18-11-16(12-19)9-3-2-4-10-16/h5-8,18-19H,2-4,9-12H2,1H3,(H,17,20).
What are the key properties of 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide?
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide is sourced from PubChem (CID 81413347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).