N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide

C13H16N2O — CID 63952885

IUPACN-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide
SMILESC#CCNc1ccc(CC(=O)NCC)cc1
InChIInChI=1S/C13H16N2O/c1-3-9-15-12-7-5-11(6-8-12)10-13(16)14-4-2/h1,5-8,15H,4,9-10H2,2H3,(H,14,16)
InChIKeyCPSYCXHUNNOBSW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.41
Rot. Bonds5

About N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide

N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide (PubChem CID 63952885) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide
PubChem CID63952885
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide
SMILESC#CCNc1ccc(CC(=O)NCC)cc1
InChIInChI=1S/C13H16N2O/c1-3-9-15-12-7-5-11(6-8-12)10-13(16)14-4-2/h1,5-8,15H,4,9-10H2,2H3,(H,14,16)
InChIKeyCPSYCXHUNNOBSW-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.41
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

N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
N-ethyl-2-[4-(octylamino)phenyl]acetamide
CID 43737514
2-[4-[(4-cyano-2,2-dimethylbutyl)amino]phenyl]-N-ethylacetamide
CID 115743112
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
N-ethyl-2-[4-[(3-methoxy-3-methylbutyl)amino]phenyl]acetamide
CID 102975694
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
2-[4-[2-(2,2-dimethylpropylamino)-2-oxoethyl]phenyl]-N-ethylacetamide;ethane;propane
CID 170603085
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide (CID 63952885) is N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide is C#CCNc1ccc(CC(=O)NCC)cc1.
What is the InChIKey of N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide?
The InChIKey is CPSYCXHUNNOBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9-15-12-7-5-11(6-8-12)10-13(16)14-4-2/h1,5-8,15H,4,9-10H2,2H3,(H,14,16).
What are the key properties of N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide?
N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide is sourced from PubChem (CID 63952885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).