4-benzamido-N-(cyanomethyl)-N-propylbenzamide

C19H19N3O2 — CID 52729751

IUPAC4-benzamido-N-(cyanomethyl)-N-propylbenzamide
SMILESCCCN(CC#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-13-22(14-12-20)19(24)16-8-10-17(11-9-16)21-18(23)15-6-4-3-5-7-15/h3-11H,2,13-14H2,1H3,(H,21,23)
InChIKeyBNHVYHVTZFHWHV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds6

About 4-benzamido-N-(cyanomethyl)-N-propylbenzamide

4-benzamido-N-(cyanomethyl)-N-propylbenzamide (PubChem CID 52729751) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-benzamido-N-(cyanomethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-benzamido-N-(cyanomethyl)-N-propylbenzamide
PubChem CID52729751
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-benzamido-N-(cyanomethyl)-N-propylbenzamide
SMILESCCCN(CC#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-13-22(14-12-20)19(24)16-8-10-17(11-9-16)21-18(23)15-6-4-3-5-7-15/h3-11H,2,13-14H2,1H3,(H,21,23)
InChIKeyBNHVYHVTZFHWHV-UHFFFAOYSA-N
XLogP3.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
3-benzamido-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 52729740
4-[[4-(2-phenoxyethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 17196210
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-benzamido-N-ethylbenzamide
CID 17153265
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(cyanomethyl)-N-propylbenzamide?
The IUPAC name of 4-benzamido-N-(cyanomethyl)-N-propylbenzamide (CID 52729751) is 4-benzamido-N-(cyanomethyl)-N-propylbenzamide.
What is the SMILES notation for 4-benzamido-N-(cyanomethyl)-N-propylbenzamide?
The canonical SMILES for 4-benzamido-N-(cyanomethyl)-N-propylbenzamide is CCCN(CC#N)C(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-(cyanomethyl)-N-propylbenzamide?
The InChIKey is BNHVYHVTZFHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-13-22(14-12-20)19(24)16-8-10-17(11-9-16)21-18(23)15-6-4-3-5-7-15/h3-11H,2,13-14H2,1H3,(H,21,23).
What are the key properties of 4-benzamido-N-(cyanomethyl)-N-propylbenzamide?
4-benzamido-N-(cyanomethyl)-N-propylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(cyanomethyl)-N-propylbenzamide is sourced from PubChem (CID 52729751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).