(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

C19H21ClN2O3 — CID 9042312

IUPAC(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)18(19(24)21-15-8-6-7-14(20)11-15)22-17(23)12-25-16-9-4-3-5-10-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyLZXPICCYZLONOL-SFHVURJKSA-N
MW360.84 g/mol
LogP3.50
Rot. Bonds7

About (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (PubChem CID 9042312) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
PubChem CID9042312
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)18(19(24)21-15-8-6-7-14(20)11-15)22-17(23)12-25-16-9-4-3-5-10-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyLZXPICCYZLONOL-SFHVURJKSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-pyrrol-1-ylphenyl)butanamide
CID 167966694
(2S)-N-(2-fluoro-5-methylphenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 46635623
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349
N-[(2S)-1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634786
N-[4-(azepan-1-yl)phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 56523145
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 134016392
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514524
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
(2S)-N-(3-chloro-4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 124557642
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 30664714

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (CID 9042312) is (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The InChIKey is LZXPICCYZLONOL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)18(19(24)21-15-8-6-7-14(20)11-15)22-17(23)12-25-16-9-4-3-5-10-16/h3-11,13,18H,12H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
(2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide has a molecular weight of 360.84 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 9042312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).