(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide

C22H28N2O3 — CID 100536498

IUPAC(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-3-15-23-22(26)20(4-2)24(16-18-11-7-5-8-12-18)21(25)17-27-19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyWTLLNMLNPQMFJS-FQEVSTJZSA-N
MW368.48 g/mol
LogP3.40
Rot. Bonds10

About (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide

(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide (PubChem CID 100536498) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
PubChem CID100536498
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-3-15-23-22(26)20(4-2)24(16-18-11-7-5-8-12-18)21(25)17-27-19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyWTLLNMLNPQMFJS-FQEVSTJZSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132660834
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132653456
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 100542869
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132663765
2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 132657546
(2R)-2-[benzyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100541439
(2S)-2-[benzyl(4-phenoxybutanoyl)amino]-N-propylbutanamide
CID 100540964
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100640479
(2S)-2-[(3,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100589803
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-butylbutanamide
CID 132720002
(2S)-2-[benzyl-[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100541240

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
The IUPAC name of (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide (CID 100536498) is (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
The canonical SMILES for (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide is CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
The InChIKey is WTLLNMLNPQMFJS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-15-23-22(26)20(4-2)24(16-18-11-7-5-8-12-18)21(25)17-27-19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide?
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide has a molecular weight of 368.48 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide is sourced from PubChem (CID 100536498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).