4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide

C16H20N2O — CID 63996773

IUPAC4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C16H20N2O/c1-12(11-14-4-5-14)18-16(19)15-8-6-13(7-9-15)3-2-10-17/h6-9,12,14H,4-5,10-11,17H2,1H3,(H,18,19)
InChIKeyNHLSTSGEXCJBQK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds4

About 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide

4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide (PubChem CID 63996773) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
PubChem CID63996773
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C16H20N2O/c1-12(11-14-4-5-14)18-16(19)15-8-6-13(7-9-15)3-2-10-17/h6-9,12,14H,4-5,10-11,17H2,1H3,(H,18,19)
InChIKeyNHLSTSGEXCJBQK-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 63994001
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 63995979
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103165283
4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
CID 62979614
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79872322
4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
CID 65043007

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide (CID 63996773) is 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide is CC(CC1CC1)NC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
The InChIKey is NHLSTSGEXCJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(11-14-4-5-14)18-16(19)15-8-6-13(7-9-15)3-2-10-17/h6-9,12,14H,4-5,10-11,17H2,1H3,(H,18,19).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide has a molecular weight of 256.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide is sourced from PubChem (CID 63996773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).