3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide

C15H23N3O2 — CID 102631347

IUPAC3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(C)C2CCCCC2O)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-17-15(20)10-7-8-12(11(16)9-10)18(2)13-5-3-4-6-14(13)19/h7-9,13-14,19H,3-6,16H2,1-2H3,(H,17,20)
InChIKeyGVDKEEMLAUSZKK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide

3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide (PubChem CID 102631347) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
PubChem CID102631347
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(C)C2CCCCC2O)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-17-15(20)10-7-8-12(11(16)9-10)18(2)13-5-3-4-6-14(13)19/h7-9,13-14,19H,3-6,16H2,1-2H3,(H,17,20)
InChIKeyGVDKEEMLAUSZKK-UHFFFAOYSA-N
XLogP1.37
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
CID 82989264
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
methyl 2-amino-4-fluoro-5-[(2-hydroxycyclohexyl)-methylamino]benzoate
CID 102635847
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
CID 105414144
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide (CID 102631347) is 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N(C)C2CCCCC2O)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide?
The InChIKey is GVDKEEMLAUSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-15(20)10-7-8-12(11(16)9-10)18(2)13-5-3-4-6-14(13)19/h7-9,13-14,19H,3-6,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide?
3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide is sourced from PubChem (CID 102631347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).