4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide

C19H19N3O2 — CID 90549900

IUPAC4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-22(2)17-11-9-16(10-12-17)19(24)21-13-3-4-14-5-7-15(8-6-14)18(20)23/h5-12H,13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyUFZPIBQVSNKFAN-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.63
Rot. Bonds4

About 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide

4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide (PubChem CID 90549900) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide.

Molecular Properties

Compound Name4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
PubChem CID90549900
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-22(2)17-11-9-16(10-12-17)19(24)21-13-3-4-14-5-7-15(8-6-14)18(20)23/h5-12H,13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyUFZPIBQVSNKFAN-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90551779
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
4-[3-[(4-chlorobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549768
4-[3-[(4-bromobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549771
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]thiophene-3-carboxamide
CID 90551974
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1-methyltriazole-4-carboxamide
CID 90549917
N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(dimethylamino)benzamide
CID 90549625
4-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]benzamide
CID 90549909
4-[3-(3-chloropropanoylamino)prop-1-ynyl]benzamide
CID 90549738

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide?
The IUPAC name of 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide (CID 90549900) is 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide.
What is the SMILES notation for 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide?
The canonical SMILES for 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide is CN(C)c1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide?
The InChIKey is UFZPIBQVSNKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22(2)17-11-9-16(10-12-17)19(24)21-13-3-4-14-5-7-15(8-6-14)18(20)23/h5-12H,13H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide?
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90549900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).