N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide

C14H17NO — CID 78970730

IUPACN-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)Cc1ccccc1C
InChIInChI=1S/C14H17NO/c1-4-10-15(5-2)14(16)11-13-9-7-6-8-12(13)3/h1,6-9H,5,10-11H2,2-3H3
InChIKeyLUDQCLSWQHMXJO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide

N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide (PubChem CID 78970730) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
PubChem CID78970730
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)Cc1ccccc1C
InChIInChI=1S/C14H17NO/c1-4-10-15(5-2)14(16)11-13-9-7-6-8-12(13)3/h1,6-9H,5,10-11H2,2-3H3
InChIKeyLUDQCLSWQHMXJO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970866
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-[[2-(2-hydroxyphenyl)acetyl]-prop-2-ynylamino]acetic acid
CID 80741246
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide (CID 78970730) is N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide is C#CCN(CC)C(=O)Cc1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide?
The InChIKey is LUDQCLSWQHMXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-10-15(5-2)14(16)11-13-9-7-6-8-12(13)3/h1,6-9H,5,10-11H2,2-3H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide?
N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide has a molecular weight of 215.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 78970730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).