(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide

C23H30N2O3 — CID 100625010

IUPAC(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide
SMILESCC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-4-18(2)24-23(27)19(3)25(16-15-20-11-7-5-8-12-20)22(26)17-28-21-13-9-6-10-14-21/h5-14,18-19H,4,15-17H2,1-3H3,(H,24,27)/t18-,19-/m0/s1
InChIKeyFWGHYQVWXKXHND-OALUTQOASA-N
MW382.50 g/mol
LogP3.44
Rot. Bonds10

About (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide

(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide (PubChem CID 100625010) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide
PubChem CID100625010
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide
SMILESCC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-4-18(2)24-23(27)19(3)25(16-15-20-11-7-5-8-12-20)22(26)17-28-21-13-9-6-10-14-21/h5-14,18-19H,4,15-17H2,1-3H3,(H,24,27)/t18-,19-/m0/s1
InChIKeyFWGHYQVWXKXHND-OALUTQOASA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625126
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100639150
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100635911
N-butan-2-yl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132715391
2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 132701864
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660432
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
(2R)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724639
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132674117
N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132707913
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide
CID 132723789
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625235

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide?
The IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide (CID 100625010) is (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide is CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide?
The InChIKey is FWGHYQVWXKXHND-OALUTQOASA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-18(2)24-23(27)19(3)25(16-15-20-11-7-5-8-12-20)22(26)17-28-21-13-9-6-10-14-21/h5-14,18-19H,4,15-17H2,1-3H3,(H,24,27)/t18-,19-/m0/s1.
What are the key properties of (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide?
(2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-butan-2-yl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 100625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).