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

C16H20N2O — CID 63996577

IUPAC2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C16H20N2O/c1-12(11-13-8-9-13)18-16(19)15-7-3-2-5-14(15)6-4-10-17/h2-3,5,7,12-13H,8-11,17H2,1H3,(H,18,19)
InChIKeyMLFJLCBFDZVWSE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds4

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

2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide (PubChem CID 63996577) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
PubChem CID63996577
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C16H20N2O/c1-12(11-13-8-9-13)18-16(19)15-7-3-2-5-14(15)6-4-10-17/h2-3,5,7,12-13H,8-11,17H2,1H3,(H,18,19)
InChIKeyMLFJLCBFDZVWSE-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'}

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103113288
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 54921713
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-(3-aminoprop-1-ynyl)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 62131826
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide (CID 63996577) is 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide is CC(CC1CC1)NC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
The InChIKey is MLFJLCBFDZVWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(11-13-8-9-13)18-16(19)15-7-3-2-5-14(15)6-4-10-17/h2-3,5,7,12-13H,8-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide?
2-(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 2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide is sourced from PubChem (CID 63996577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).