3-amino-N-benzyl-N-cyclopropylbenzamide

C17H18N2O — CID 43574369

IUPAC3-amino-N-benzyl-N-cyclopropylbenzamide
SMILESNc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C17H18N2O/c18-15-8-4-7-14(11-15)17(20)19(16-9-10-16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,18H2
InChIKeyUBWVFKMWKCMHSX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.07
Rot. Bonds4

About 3-amino-N-benzyl-N-cyclopropylbenzamide

3-amino-N-benzyl-N-cyclopropylbenzamide (PubChem CID 43574369) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-cyclopropylbenzamide
PubChem CID43574369
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-N-benzyl-N-cyclopropylbenzamide
SMILESNc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C17H18N2O/c18-15-8-4-7-14(11-15)17(20)19(16-9-10-16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,18H2
InChIKeyUBWVFKMWKCMHSX-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-benzyl-N-cyclopropyl-2,3-diethylquinoxaline-6-carboxamide
CID 30712262
N-benzyl-N-(oxetan-3-yl)benzamide
CID 166264927
2-amino-N-benzyl-N-cyclopropyl-3-fluorobenzamide
CID 81499537
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221
N-benzyl-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55549426

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-cyclopropylbenzamide?
The IUPAC name of 3-amino-N-benzyl-N-cyclopropylbenzamide (CID 43574369) is 3-amino-N-benzyl-N-cyclopropylbenzamide.
What is the SMILES notation for 3-amino-N-benzyl-N-cyclopropylbenzamide?
The canonical SMILES for 3-amino-N-benzyl-N-cyclopropylbenzamide is Nc1cccc(C(=O)N(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 3-amino-N-benzyl-N-cyclopropylbenzamide?
The InChIKey is UBWVFKMWKCMHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-8-4-7-14(11-15)17(20)19(16-9-10-16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12,18H2.
What are the key properties of 3-amino-N-benzyl-N-cyclopropylbenzamide?
3-amino-N-benzyl-N-cyclopropylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-cyclopropylbenzamide is sourced from PubChem (CID 43574369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).