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

C15H20N2O2 — CID 64603488

IUPAC3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C15H20N2O2/c1-12(8-10-19-2)17-15(18)14-7-3-5-13(11-14)6-4-9-16/h3,5,7,11-12H,8-10,16H2,1-2H3,(H,17,18)
InChIKeyQBRGCWNLCVZJOF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.15
Rot. Bonds5

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

3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 64603488) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
PubChem CID64603488
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C15H20N2O2/c1-12(8-10-19-2)17-15(18)14-7-3-5-13(11-14)6-4-9-16/h3,5,7,11-12H,8-10,16H2,1-2H3,(H,17,18)
InChIKeyQBRGCWNLCVZJOF-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.15
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

3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 61466129
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
3-(3-aminoprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217820
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
3-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62640695
methyl 2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]-3-methylbutanoate
CID 60816558
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-hept-1-ynyl-N-(1-hydroxypropan-2-yl)benzamide
CID 59260246
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide (CID 64603488) is 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is QBRGCWNLCVZJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(8-10-19-2)17-15(18)14-7-3-5-13(11-14)6-4-9-16/h3,5,7,11-12H,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide?
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 64603488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).