N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide

C23H28N2O3 — CID 51296073

IUPACN-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C23H28N2O3/c1-2-28-20-12-7-6-11-19(20)23(27)24-16-8-13-21(26)25-22(18-14-15-18)17-9-4-3-5-10-17/h3-7,9-12,18,22H,2,8,13-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyQYEFAEULUBJYAQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.86
Rot. Bonds10

About N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 51296073) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID51296073
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C23H28N2O3/c1-2-28-20-12-7-6-11-19(20)23(27)24-16-8-13-21(26)25-22(18-14-15-18)17-9-4-3-5-10-17/h3-7,9-12,18,22H,2,8,13-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyQYEFAEULUBJYAQ-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-2-phenylacetic acid
CID 119113379
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
cis-(1S,3R)-3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]cyclopentane-1-carboxylic acid
CID 120675480
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
CID 51187247
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119426258
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669

Frequently Asked Questions

What is the IUPAC name of N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide (CID 51296073) is N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is QYEFAEULUBJYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-28-20-12-7-6-11-19(20)23(27)24-16-8-13-21(26)25-22(18-14-15-18)17-9-4-3-5-10-17/h3-7,9-12,18,22H,2,8,13-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 51296073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).