2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide

C16H21N3O2 — CID 103113288

IUPAC2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C16H21N3O2/c1-4-19(3)16(21)12(2)18-15(20)14-10-6-5-8-13(14)9-7-11-17/h5-6,8,10,12H,4,11,17H2,1-3H3,(H,18,20)
InChIKeyIHNJWRUUVKTWHM-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.59
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide

2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 103113288) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID103113288
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C16H21N3O2/c1-4-19(3)16(21)12(2)18-15(20)14-10-6-5-8-13(14)9-7-11-17/h5-6,8,10,12H,4,11,17H2,1-3H3,(H,18,20)
InChIKeyIHNJWRUUVKTWHM-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.59
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

2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 103113261
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60821942
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103190523
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
2-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62103795
3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide
CID 103110545
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid
CID 103106848

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide (CID 103113288) is 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide is CCN(C)C(=O)C(C)NC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is IHNJWRUUVKTWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(3)16(21)12(2)18-15(20)14-10-6-5-8-13(14)9-7-11-17/h5-6,8,10,12H,4,11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103113288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).