2-(4-phenylanilino)-N-prop-2-ynylpropanamide

C18H18N2O — CID 60720749

IUPAC2-(4-phenylanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-19-18(21)14(2)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h1,4-12,14,20H,13H2,2H3,(H,19,21)
InChIKeyKEAIJWFHWXJIAN-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-phenylanilino)-N-prop-2-ynylpropanamide

2-(4-phenylanilino)-N-prop-2-ynylpropanamide (PubChem CID 60720749) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-phenylanilino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(4-phenylanilino)-N-prop-2-ynylpropanamide
PubChem CID60720749
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-phenylanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-19-18(21)14(2)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h1,4-12,14,20H,13H2,2H3,(H,19,21)
InChIKeyKEAIJWFHWXJIAN-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-prop-2-ynylpropanamide
CID 43112793
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
2-anilino-N-(cyanomethyl)propanamide
CID 23467229
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922
2-(4-phenylanilino)propanamide
CID 60671359
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
CID 43114033
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 47157501
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylanilino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(4-phenylanilino)-N-prop-2-ynylpropanamide (CID 60720749) is 2-(4-phenylanilino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(4-phenylanilino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(4-phenylanilino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylanilino)-N-prop-2-ynylpropanamide?
The InChIKey is KEAIJWFHWXJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-13-19-18(21)14(2)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h1,4-12,14,20H,13H2,2H3,(H,19,21).
What are the key properties of 2-(4-phenylanilino)-N-prop-2-ynylpropanamide?
2-(4-phenylanilino)-N-prop-2-ynylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylanilino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60720749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).