3-amino-2-methyl-N-prop-2-enylbenzamide

C11H14N2O — CID 28723067

IUPAC3-amino-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(N)c1C
InChIInChI=1S/C11H14N2O/c1-3-7-13-11(14)9-5-4-6-10(12)8(9)2/h3-6H,1,7,12H2,2H3,(H,13,14)
InChIKeyZLLGRSFHZWGYPN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.49
Rot. Bonds3

About 3-amino-2-methyl-N-prop-2-enylbenzamide

3-amino-2-methyl-N-prop-2-enylbenzamide (PubChem CID 28723067) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-2-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-prop-2-enylbenzamide
PubChem CID28723067
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(N)c1C
InChIInChI=1S/C11H14N2O/c1-3-7-13-11(14)9-5-4-6-10(12)8(9)2/h3-6H,1,7,12H2,2H3,(H,13,14)
InChIKeyZLLGRSFHZWGYPN-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
CID 28749260
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-amino-2-methyl-N-prop-2-enylbenzamide (CID 28723067) is 3-amino-2-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-amino-2-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-amino-2-methyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-prop-2-enylbenzamide?
The InChIKey is ZLLGRSFHZWGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-7-13-11(14)9-5-4-6-10(12)8(9)2/h3-6H,1,7,12H2,2H3,(H,13,14).
What are the key properties of 3-amino-2-methyl-N-prop-2-enylbenzamide?
3-amino-2-methyl-N-prop-2-enylbenzamide has a molecular weight of 190.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 28723067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).