N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide

C25H29N3O — CID 4640614

IUPACN-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide
SMILESCCc1ccc(NC(=O)C(C)Nc2ccccc2NCCc2ccccc2)cc1
InChIInChI=1S/C25H29N3O/c1-3-20-13-15-22(16-14-20)28-25(29)19(2)27-24-12-8-7-11-23(24)26-18-17-21-9-5-4-6-10-21/h4-16,19,26-27H,3,17-18H2,1-2H3,(H,28,29)
InChIKeyURXNPKBSEUBMHQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.34
Rot. Bonds9

About N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide

N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide (PubChem CID 4640614) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide
PubChem CID4640614
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide
SMILESCCc1ccc(NC(=O)C(C)Nc2ccccc2NCCc2ccccc2)cc1
InChIInChI=1S/C25H29N3O/c1-3-20-13-15-22(16-14-20)28-25(29)19(2)27-24-12-8-7-11-23(24)26-18-17-21-9-5-4-6-10-21/h4-16,19,26-27H,3,17-18H2,1-2H3,(H,28,29)
InChIKeyURXNPKBSEUBMHQ-UHFFFAOYSA-N
XLogP5.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
(2R)-N-(4-acetylphenyl)-2-(2-phenylethylamino)propanamide
CID 2437197
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
CID 81288532
(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide
CID 8000313
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide (CID 4640614) is N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide is CCc1ccc(NC(=O)C(C)Nc2ccccc2NCCc2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide?
The InChIKey is URXNPKBSEUBMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-3-20-13-15-22(16-14-20)28-25(29)19(2)27-24-12-8-7-11-23(24)26-18-17-21-9-5-4-6-10-21/h4-16,19,26-27H,3,17-18H2,1-2H3,(H,28,29).
What are the key properties of N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide?
N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide has a molecular weight of 387.53 g/mol, XLogP of 5.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide is sourced from PubChem (CID 4640614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).