3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide

C14H21N3O2 — CID 106119994

IUPAC3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCC2CCCC(O)C2)c(N)c1
InChIInChI=1S/C14H21N3O2/c15-12-7-10(14(16)19)4-5-13(12)17-8-9-2-1-3-11(18)6-9/h4-5,7,9,11,17-18H,1-3,6,8,15H2,(H2,16,19)
InChIKeyUGMPPURGPOYVLF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds4

About 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide

3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide (PubChem CID 106119994) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
PubChem CID106119994
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCC2CCCC(O)C2)c(N)c1
InChIInChI=1S/C14H21N3O2/c15-12-7-10(14(16)19)4-5-13(12)17-8-9-2-1-3-11(18)6-9/h4-5,7,9,11,17-18H,1-3,6,8,15H2,(H2,16,19)
InChIKeyUGMPPURGPOYVLF-UHFFFAOYSA-N
XLogP1.33
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
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-[(3-hydroxycyclohexyl)methylamino]-3-nitrobenzamide
CID 103703416
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
3-amino-4-(oxolan-3-ylmethylamino)benzamide
CID 62822752
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbenzoic acid
CID 114148427
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
CID 106120053
ethyl 3-amino-4-(cyclohexylmethylamino)benzoate
CID 61305342
3-amino-4-[2-[cyclopentyl(methyl)amino]ethylamino]benzamide
CID 63314897
6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
CID 103715279
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
CID 106119533
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
CID 106119986
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide?
The IUPAC name of 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide (CID 106119994) is 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide is NC(=O)c1ccc(NCC2CCCC(O)C2)c(N)c1.
What is the InChIKey of 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide?
The InChIKey is UGMPPURGPOYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-7-10(14(16)19)4-5-13(12)17-8-9-2-1-3-11(18)6-9/h4-5,7,9,11,17-18H,1-3,6,8,15H2,(H2,16,19).
What are the key properties of 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide?
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide is sourced from PubChem (CID 106119994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).