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

C11H12N2O — CID 45119558

IUPACN-(2-aminophenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(C(C)=O)c1ccccc1N
InChIInChI=1S/C11H12N2O/c1-3-8-13(9(2)14)11-7-5-4-6-10(11)12/h1,4-7H,8,12H2,2H3
InChIKeyISYLYSYVDVQESU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.25
Rot. Bonds2

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

N-(2-aminophenyl)-N-prop-2-ynylacetamide (PubChem CID 45119558) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-prop-2-ynylacetamide
PubChem CID45119558
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(2-aminophenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(C(C)=O)c1ccccc1N
InChIInChI=1S/C11H12N2O/c1-3-8-13(9(2)14)11-7-5-4-6-10(11)12/h1,4-7H,8,12H2,2H3
InChIKeyISYLYSYVDVQESU-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
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

N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
CID 12581419
N-(2-aminophenyl)-N-prop-2-enylacetamide
CID 10702854
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
tert-butyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
CID 16748153
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-prop-2-ynylacetamide?
The IUPAC name of N-(2-aminophenyl)-N-prop-2-ynylacetamide (CID 45119558) is N-(2-aminophenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-(2-aminophenyl)-N-prop-2-ynylacetamide is C#CCN(C(C)=O)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-prop-2-ynylacetamide?
The InChIKey is ISYLYSYVDVQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-8-13(9(2)14)11-7-5-4-6-10(11)12/h1,4-7H,8,12H2,2H3.
What are the key properties of N-(2-aminophenyl)-N-prop-2-ynylacetamide?
N-(2-aminophenyl)-N-prop-2-ynylacetamide has a molecular weight of 188.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 45119558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).