3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide

C14H21N3O2 — CID 65108096

IUPAC3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCC2(O)CCCCC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c15-11-8-10(13(16)18)4-5-12(11)17-9-14(19)6-2-1-3-7-14/h4-5,8,17,19H,1-3,6-7,9,15H2,(H2,16,18)
InChIKeyDLXNDVAKMJDFOT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds4

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

3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide (PubChem CID 65108096) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
PubChem CID65108096
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCC2(O)CCCCC2)c(N)c1
InChIInChI=1S/C14H21N3O2/c15-11-8-10(13(16)18)4-5-12(11)17-9-14(19)6-2-1-3-7-14/h4-5,8,17,19H,1-3,6-7,9,15H2,(H2,16,18)
InChIKeyDLXNDVAKMJDFOT-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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-hydroxycycloheptyl)methylamino]benzonitrile
CID 65122900
3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65103324
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
CID 68870224
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 82990686
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
CID 65102596
1-[(2-amino-5-fluoro-4-iodoanilino)methyl]cyclohexan-1-ol
CID 66101510

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide?
The IUPAC name of 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide (CID 65108096) is 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide is NC(=O)c1ccc(NCC2(O)CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide?
The InChIKey is DLXNDVAKMJDFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-8-10(13(16)18)4-5-12(11)17-9-14(19)6-2-1-3-7-14/h4-5,8,17,19H,1-3,6-7,9,15H2,(H2,16,18).
What are the key properties of 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide?
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide is sourced from PubChem (CID 65108096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).