4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide

C16H24N2O2 — CID 107074297

IUPAC4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccc(N)c(O)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-11-3-5-12(6-4-11)10-18-16(20)13-7-8-14(17)15(19)9-13/h7-9,11-12,19H,2-6,10,17H2,1H3,(H,18,20)
InChIKeyNGWSGINKPMKNAR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide

4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide (PubChem CID 107074297) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
PubChem CID107074297
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccc(N)c(O)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-11-3-5-12(6-4-11)10-18-16(20)13-7-8-14(17)15(19)9-13/h7-9,11-12,19H,2-6,10,17H2,1H3,(H,18,20)
InChIKeyNGWSGINKPMKNAR-UHFFFAOYSA-N
XLogP2.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62244029
N-[[1-(4-amino-3-hydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 102739429
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
3-amino-N-[(4-ethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 61118488
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide (CID 107074297) is 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide is CCC1CCC(CNC(=O)c2ccc(N)c(O)c2)CC1.
What is the InChIKey of 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide?
The InChIKey is NGWSGINKPMKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-11-3-5-12(6-4-11)10-18-16(20)13-7-8-14(17)15(19)9-13/h7-9,11-12,19H,2-6,10,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide?
4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide is sourced from PubChem (CID 107074297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).