4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide

C15H21N3O3 — CID 142019495

IUPAC4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide
SMILESNc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(=O)NO)cc1
InChIInChI=1S/C15H21N3O3/c16-12-7-5-10(6-8-12)14(19)17-9-11-3-1-2-4-13(11)15(20)18-21/h5-8,11,13,21H,1-4,9,16H2,(H,17,19)(H,18,20)/t11-,13+/m0/s1
InChIKeyULSSCACCAXTMHT-WCQYABFASA-N
MW291.35 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide

4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide (PubChem CID 142019495) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide
PubChem CID142019495
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide
SMILESNc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(=O)NO)cc1
InChIInChI=1S/C15H21N3O3/c16-12-7-5-10(6-8-12)14(19)17-9-11-3-1-2-4-13(11)15(20)18-21/h5-8,11,13,21H,1-4,9,16H2,(H,17,19)(H,18,20)/t11-,13+/m0/s1
InChIKeyULSSCACCAXTMHT-WCQYABFASA-N
XLogP1.31
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
trans-(1S,2R)-2-[[[4-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732270
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
4-amino-N-(2-cyclopentyl-2-methylpropyl)benzamide
CID 115161070
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81290637
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide (CID 142019495) is 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide is Nc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(=O)NO)cc1.
What is the InChIKey of 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide?
The InChIKey is ULSSCACCAXTMHT-WCQYABFASA-N. The full InChI is InChI=1S/C15H21N3O3/c16-12-7-5-10(6-8-12)14(19)17-9-11-3-1-2-4-13(11)15(20)18-21/h5-8,11,13,21H,1-4,9,16H2,(H,17,19)(H,18,20)/t11-,13+/m0/s1.
What are the key properties of 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide?
4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(1R,2R)-2-(hydroxycarbamoyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 142019495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).