N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide

C23H23N3O2 — CID 54810342

IUPACN-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c27-22(16-11-18-7-3-1-4-8-18)25-20-12-14-21(15-13-20)26-23(28)17-24-19-9-5-2-6-10-19/h1-10,12-15,24H,11,16-17H2,(H,25,27)(H,26,28)
InChIKeyMRRUAQWKVLSBLP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.31
Rot. Bonds8

About N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide

N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide (PubChem CID 54810342) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
PubChem CID54810342
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c27-22(16-11-18-7-3-1-4-8-18)25-20-12-14-21(15-13-20)26-23(28)17-24-19-9-5-2-6-10-19/h1-10,12-15,24H,11,16-17H2,(H,25,27)(H,26,28)
InChIKeyMRRUAQWKVLSBLP-UHFFFAOYSA-N
XLogP4.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
2-anilino-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61237525
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide (CID 54810342) is N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(NC(=O)CNc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide?
The InChIKey is MRRUAQWKVLSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(16-11-18-7-3-1-4-8-18)25-20-12-14-21(15-13-20)26-23(28)17-24-19-9-5-2-6-10-19/h1-10,12-15,24H,11,16-17H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide?
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide has a molecular weight of 373.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54810342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).