2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide

C14H20N2O2 — CID 103950315

IUPAC2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-10-4-3-5-11(17)8-10/h1-2,6-7,10-11,17H,3-5,8-9,15H2,(H,16,18)
InChIKeyCDZOHKKPALXMBK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 103950315) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID103950315
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-10-4-3-5-11(17)8-10/h1-2,6-7,10-11,17H,3-5,8-9,15H2,(H,16,18)
InChIKeyCDZOHKKPALXMBK-UHFFFAOYSA-N
XLogP1.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459737
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclohexyl)methyl]-2-(3-methylbut-2-enylsulfanyl)benzamide
CID 111460429
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 103950315) is 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide is Nc1ccccc1C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is CDZOHKKPALXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-10-4-3-5-11(17)8-10/h1-2,6-7,10-11,17H,3-5,8-9,15H2,(H,16,18).
What are the key properties of 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide?
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 103950315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).