2-methyl-N-propyl-N-prop-2-ynylbenzamide

C14H17NO — CID 78970596

IUPAC2-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1ccccc1C
InChIInChI=1S/C14H17NO/c1-4-10-15(11-5-2)14(16)13-9-7-6-8-12(13)3/h1,6-9H,5,10-11H2,2-3H3
InChIKeyLLTCZTBLRKEZLW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-propyl-N-prop-2-ynylbenzamide

2-methyl-N-propyl-N-prop-2-ynylbenzamide (PubChem CID 78970596) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-N-propyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-methyl-N-propyl-N-prop-2-ynylbenzamide
PubChem CID78970596
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1ccccc1C
InChIInChI=1S/C14H17NO/c1-4-10-15(11-5-2)14(16)13-9-7-6-8-12(13)3/h1,6-9H,5,10-11H2,2-3H3
InChIKeyLLTCZTBLRKEZLW-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112696480
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
2-methyl-N,N-dipentylbenzamide
CID 4576290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-N-prop-2-ynylbenzamide?
The IUPAC name of 2-methyl-N-propyl-N-prop-2-ynylbenzamide (CID 78970596) is 2-methyl-N-propyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-methyl-N-propyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-methyl-N-propyl-N-prop-2-ynylbenzamide is C#CCN(CCC)C(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-propyl-N-prop-2-ynylbenzamide?
The InChIKey is LLTCZTBLRKEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-10-15(11-5-2)14(16)13-9-7-6-8-12(13)3/h1,6-9H,5,10-11H2,2-3H3.
What are the key properties of 2-methyl-N-propyl-N-prop-2-ynylbenzamide?
2-methyl-N-propyl-N-prop-2-ynylbenzamide has a molecular weight of 215.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 78970596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).