(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C23H30N2O3 — CID 100645348

IUPAC(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-5-19-11-13-21(14-12-19)28-16-22(26)25(15-20-9-7-6-8-10-20)18(4)23(27)24-17(2)3/h6-14,17-18H,5,15-16H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKeyPGTGCJQJFHFPTH-GOSISDBHSA-N
MW382.50 g/mol
LogP3.57
Rot. Bonds9

About (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100645348) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID100645348
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-5-19-11-13-21(14-12-19)28-16-22(26)25(15-20-9-7-6-8-10-20)18(4)23(27)24-17(2)3/h6-14,17-18H,5,15-16H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKeyPGTGCJQJFHFPTH-GOSISDBHSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100732432
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660432
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 132701864
2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132664532
(2S)-2-[benzyl-[2-(4-chlorophenoxy)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100515665
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100655404
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132707034
(2R)-2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100733683
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-ethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100530026

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 100645348) is (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1.
What is the InChIKey of (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is PGTGCJQJFHFPTH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-19-11-13-21(14-12-19)28-16-22(26)25(15-20-9-7-6-8-10-20)18(4)23(27)24-17(2)3/h6-14,17-18H,5,15-16H2,1-4H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100645348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).