4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide

C19H28N2O3 — CID 166292705

IUPAC4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide
SMILESCCCOC1(CNC(=O)c2ccc(CC(N)=O)cc2)CCCCC1
InChIInChI=1S/C19H28N2O3/c1-2-12-24-19(10-4-3-5-11-19)14-21-18(23)16-8-6-15(7-9-16)13-17(20)22/h6-9H,2-5,10-14H2,1H3,(H2,20,22)(H,21,23)
InChIKeyHAQBKVSOQIJFPL-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.57
Rot. Bonds8

About 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide

4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide (PubChem CID 166292705) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide
PubChem CID166292705
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide
SMILESCCCOC1(CNC(=O)c2ccc(CC(N)=O)cc2)CCCCC1
InChIInChI=1S/C19H28N2O3/c1-2-12-24-19(10-4-3-5-11-19)14-21-18(23)16-8-6-15(7-9-16)13-17(20)22/h6-9H,2-5,10-14H2,1H3,(H2,20,22)(H,21,23)
InChIKeyHAQBKVSOQIJFPL-UHFFFAOYSA-N
XLogP2.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]benzamide
CID 131702305
2-amino-2-(4-methylphenyl)-N-[(1-propoxycyclohexyl)methyl]acetamide;hydrochloride
CID 120669181
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
CID 166201965
2-[(3,4-dimethoxyphenyl)methyl]-1-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 111823268
4-(methoxymethyl)-N-[(1-propoxycyclohexyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120638673
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide (CID 166292705) is 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide is CCCOC1(CNC(=O)c2ccc(CC(N)=O)cc2)CCCCC1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide?
The InChIKey is HAQBKVSOQIJFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-12-24-19(10-4-3-5-11-19)14-21-18(23)16-8-6-15(7-9-16)13-17(20)22/h6-9H,2-5,10-14H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide?
4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[(1-propoxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 166292705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).