N-(2-aminophenyl)-2-methylprop-2-enamide;propane

C13H20N2O — CID 118948381

IUPACN-(2-aminophenyl)-2-methylprop-2-enamide;propane
SMILESC=C(C)C(=O)Nc1ccccc1N.CCC
InChIInChI=1S/C10H12N2O.C3H8/c1-7(2)10(13)12-9-6-4-3-5-8(9)11;1-3-2/h3-6H,1,11H2,2H3,(H,12,13);3H2,1-2H3
InChIKeyNOCUXMSTTDMMRA-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.20
Rot. Bonds2

About N-(2-aminophenyl)-2-methylprop-2-enamide;propane

N-(2-aminophenyl)-2-methylprop-2-enamide;propane (PubChem CID 118948381) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-methylprop-2-enamide;propane.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-methylprop-2-enamide;propane
PubChem CID118948381
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-aminophenyl)-2-methylprop-2-enamide;propane
SMILESC=C(C)C(=O)Nc1ccccc1N.CCC
InChIInChI=1S/C10H12N2O.C3H8/c1-7(2)10(13)12-9-6-4-3-5-8(9)11;1-3-2/h3-6H,1,11H2,2H3,(H,12,13);3H2,1-2H3
InChIKeyNOCUXMSTTDMMRA-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide
CID 89369812
(2E)-N-(2-aminophenyl)-2-ethyl-5-methylhexa-2,4-dienamide;ethane
CID 144503553
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
2-(2-methylprop-2-enoylamino)benzenesulfinic acid
CID 57149174
2-methylaniline;2-methylprop-2-enoic acid
CID 175783727
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
acetylene;(E)-N-(2-aminophenyl)-2-ethenylbut-2-enamide;ethane
CID 143456973
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-methylprop-2-enamide;propane?
The IUPAC name of N-(2-aminophenyl)-2-methylprop-2-enamide;propane (CID 118948381) is N-(2-aminophenyl)-2-methylprop-2-enamide;propane.
What is the SMILES notation for N-(2-aminophenyl)-2-methylprop-2-enamide;propane?
The canonical SMILES for N-(2-aminophenyl)-2-methylprop-2-enamide;propane is C=C(C)C(=O)Nc1ccccc1N.CCC.
What is the InChIKey of N-(2-aminophenyl)-2-methylprop-2-enamide;propane?
The InChIKey is NOCUXMSTTDMMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C3H8/c1-7(2)10(13)12-9-6-4-3-5-8(9)11;1-3-2/h3-6H,1,11H2,2H3,(H,12,13);3H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-2-methylprop-2-enamide;propane?
N-(2-aminophenyl)-2-methylprop-2-enamide;propane has a molecular weight of 220.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-methylprop-2-enamide;propane is sourced from PubChem (CID 118948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).