(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

C24H32N2O3 — CID 100724937

IUPAC(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-17(2)25-24(28)20(5)26(14-13-21-9-7-6-8-10-21)23(27)16-29-22-15-18(3)11-12-19(22)4/h6-12,15,17,20H,13-14,16H2,1-5H3,(H,25,28)/t20-/m0/s1
InChIKeyLAWITEWKUCWOAM-FQEVSTJZSA-N
MW396.53 g/mol
LogP3.67
Rot. Bonds9

About (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100724937) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
PubChem CID100724937
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-17(2)25-24(28)20(5)26(14-13-21-9-7-6-8-10-21)23(27)16-29-22-15-18(3)11-12-19(22)4/h6-12,15,17,20H,13-14,16H2,1-5H3,(H,25,28)/t20-/m0/s1
InChIKeyLAWITEWKUCWOAM-FQEVSTJZSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534809
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707138
2-[[2-(3,4-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660393
2-[[2-(2,4-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132660352
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195360
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132704766
2-[[2-(3,5-dimethoxyphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132668377
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132665272
N-ethyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132660529
N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132710026
(2R)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (CID 100724937) is (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is Cc1ccc(C)c(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1.
What is the InChIKey of (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is LAWITEWKUCWOAM-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)25-24(28)20(5)26(14-13-21-9-7-6-8-10-21)23(27)16-29-22-15-18(3)11-12-19(22)4/h6-12,15,17,20H,13-14,16H2,1-5H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100724937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).