N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide

C21H26N2O2 — CID 101474890

IUPACN-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
SMILESCCN(CC)C(=O)CCC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-23(4-2)20(24)16-15-19(17-11-7-5-8-12-17)22-21(25)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)
InChIKeyOXNLTXRHLNCENS-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.81
Rot. Bonds8

About N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide

N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide (PubChem CID 101474890) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
PubChem CID101474890
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
SMILESCCN(CC)C(=O)CCC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-23(4-2)20(24)16-15-19(17-11-7-5-8-12-17)22-21(25)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)
InChIKeyOXNLTXRHLNCENS-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 55373105
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[(1S)-3-[2-(diethylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 94336143

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide?
The IUPAC name of N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide (CID 101474890) is N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide is CCN(CC)C(=O)CCC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide?
The InChIKey is OXNLTXRHLNCENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-23(4-2)20(24)16-15-19(17-11-7-5-8-12-17)22-21(25)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide?
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide is sourced from PubChem (CID 101474890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).