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

C22H28N2O3 — CID 42579514

IUPACN,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-19(27-20-11-9-8-10-16(20)4)21(25)23-18-14-12-17(13-15-18)22(26)24(6-2)7-3/h8-15,19H,5-7H2,1-4H3,(H,23,25)/t19-/m0/s1
InChIKeyISVJGCLPWIJCJD-IBGZPJMESA-N
MW368.48 g/mol
LogP4.27
Rot. Bonds8

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

N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide (PubChem CID 42579514) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
PubChem CID42579514
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C22H28N2O3/c1-5-19(27-20-11-9-8-10-16(20)4)21(25)23-18-14-12-17(13-15-18)22(26)24(6-2)7-3/h8-15,19H,5-7H2,1-4H3,(H,23,25)/t19-/m0/s1
InChIKeyISVJGCLPWIJCJD-IBGZPJMESA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]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-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
CID 4949864
2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide
CID 4931944
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
CID 132653358
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
CID 46771486
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826
N,N-diethyl-4-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 8503969

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide (CID 42579514) is N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide is CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide?
The InChIKey is ISVJGCLPWIJCJD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-19(27-20-11-9-8-10-16(20)4)21(25)23-18-14-12-17(13-15-18)22(26)24(6-2)7-3/h8-15,19H,5-7H2,1-4H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide?
N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.27, 8 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-(2-methylphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 42579514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).