N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide

C20H24N2O3 — CID 8503969

IUPACN,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-22(5-2)20(24)16-11-13-17(14-12-16)21-19(23)15(3)25-18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyQWLMCBVZMNXAGB-HNNXBMFYSA-N
MW340.42 g/mol
LogP3.57
Rot. Bonds7

About N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide

N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide (PubChem CID 8503969) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
PubChem CID8503969
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-22(5-2)20(24)16-11-13-17(14-12-16)21-19(23)15(3)25-18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyQWLMCBVZMNXAGB-HNNXBMFYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
4-[2-(4-ethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196211
4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196176
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
(2R)-2-phenoxy-N-[4-[4-[[(2R)-2-phenoxypropanoyl]amino]phenyl]sulfinylphenyl]propanamide
CID 1352725
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide (CID 8503969) is N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
The InChIKey is QWLMCBVZMNXAGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-22(5-2)20(24)16-11-13-17(14-12-16)21-19(23)15(3)25-18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide?
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide is sourced from PubChem (CID 8503969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).