4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide

C15H23N3O2 — CID 65102655

IUPAC4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-17-14(19)11-5-6-12(16)13(9-11)18-10-15(20)7-3-2-4-8-15/h5-6,9,18,20H,2-4,7-8,10,16H2,1H3,(H,17,19)
InChIKeyWSWUOBVUYFMAIP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.74
Rot. Bonds4

About 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide

4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide (PubChem CID 65102655) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
PubChem CID65102655
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23N3O2/c1-17-14(19)11-5-6-12(16)13(9-11)18-10-15(20)7-3-2-4-8-15/h5-6,9,18,20H,2-4,7-8,10,16H2,1H3,(H,17,19)
InChIKeyWSWUOBVUYFMAIP-UHFFFAOYSA-N
XLogP1.74
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
2-[(1-hydroxycyclohexyl)methylamino]-N-methyl-5-nitrobenzamide
CID 133447679
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide (CID 65102655) is 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCC2(O)CCCCC2)c1.
What is the InChIKey of 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide?
The InChIKey is WSWUOBVUYFMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-14(19)11-5-6-12(16)13(9-11)18-10-15(20)7-3-2-4-8-15/h5-6,9,18,20H,2-4,7-8,10,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide?
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 65102655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).