N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide

C13H16N2O — CID 78908653

IUPACN-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C13H16N2O/c1-4-8-14-9-13(16)15-12-7-5-6-10(2)11(12)3/h1,5-7,14H,8-9H2,2-3H3,(H,15,16)
InChIKeyWQHUZOISUGBZRZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.46
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide

N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78908653) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78908653
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C13H16N2O/c1-4-8-14-9-13(16)15-12-7-5-6-10(2)11(12)3/h1,5-7,14H,8-9H2,2-3H3,(H,15,16)
InChIKeyWQHUZOISUGBZRZ-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
1-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589428
N-(2-phenylphenyl)-2-(prop-2-ynylamino)acetamide
CID 18190564
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide (CID 78908653) is N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is WQHUZOISUGBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-8-14-9-13(16)15-12-7-5-6-10(2)11(12)3/h1,5-7,14H,8-9H2,2-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide?
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 216.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).