2-(2-aminophenyl)-N-prop-2-ynylacetamide

C11H12N2O — CID 61118028

IUPAC2-(2-aminophenyl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccccc1N
InChIInChI=1S/C11H12N2O/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12/h1,3-6H,7-8,12H2,(H,13,14)
InChIKeyVIOHYKSNCXVCNM-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.56
Rot. Bonds3

About 2-(2-aminophenyl)-N-prop-2-ynylacetamide

2-(2-aminophenyl)-N-prop-2-ynylacetamide (PubChem CID 61118028) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-prop-2-ynylacetamide
PubChem CID61118028
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(2-aminophenyl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cc1ccccc1N
InChIInChI=1S/C11H12N2O/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12/h1,3-6H,7-8,12H2,(H,13,14)
InChIKeyVIOHYKSNCXVCNM-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 22262718
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
2-(2-aminophenyl)acetic acid;pent-1-yne
CID 88718243
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363
2-(2-aminophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103833107
2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
CID 115976838
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-prop-2-ynylacetamide (CID 61118028) is 2-(2-aminophenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-prop-2-ynylacetamide?
The InChIKey is VIOHYKSNCXVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-7-13-11(14)8-9-5-3-4-6-10(9)12/h1,3-6H,7-8,12H2,(H,13,14).
What are the key properties of 2-(2-aminophenyl)-N-prop-2-ynylacetamide?
2-(2-aminophenyl)-N-prop-2-ynylacetamide has a molecular weight of 188.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 61118028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).