N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide

C13H15N3O2 — CID 78908561

IUPACN-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H15N3O2/c1-3-8-14-9-13(18)16-12-6-4-11(5-7-12)15-10(2)17/h1,4-7,14H,8-9H2,2H3,(H,15,17)(H,16,18)
InChIKeyQARXQDRRKYTVGI-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.81
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide

N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78908561) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78908561
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H15N3O2/c1-3-8-14-9-13(18)16-12-6-4-11(5-7-12)15-10(2)17/h1,4-7,14H,8-9H2,2H3,(H,15,17)(H,16,18)
InChIKeyQARXQDRRKYTVGI-UHFFFAOYSA-N
XLogP0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
N,N-dimethyl-2-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetamide
CID 79286921
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286722
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
3-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]butanoic acid
CID 104503034
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506
N-[3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287328
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286471
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide (CID 78908561) is N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is QARXQDRRKYTVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-8-14-9-13(18)16-12-6-4-11(5-7-12)15-10(2)17/h1,4-7,14H,8-9H2,2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide?
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 245.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).