N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide

C26H28N2O2 — CID 102142549

IUPACN-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-3-18-28(20(2)21-12-6-4-7-13-21)19-25(29)27-24-17-11-10-16-23(24)26(30)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyHRVUMPGENCYTLM-FQEVSTJZSA-N
MW400.52 g/mol
LogP5.33
Rot. Bonds9

About N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide

N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide (PubChem CID 102142549) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
PubChem CID102142549
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-3-18-28(20(2)21-12-6-4-7-13-21)19-25(29)27-24-17-11-10-16-23(24)26(30)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyHRVUMPGENCYTLM-FQEVSTJZSA-N
XLogP5.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880676
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
2-[[2-(2-benzoylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729554
N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 55837800
N-(2-benzoylphenyl)-2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 2464527
2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838809
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
2-[[2-[benzoyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42949097

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide (CID 102142549) is N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide?
The InChIKey is HRVUMPGENCYTLM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-18-28(20(2)21-12-6-4-7-13-21)19-25(29)27-24-17-11-10-16-23(24)26(30)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide?
N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide has a molecular weight of 400.52 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide is sourced from PubChem (CID 102142549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).