3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide

C12H16N2O — CID 114614951

IUPAC3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C12H16N2O/c1-8(2)7-14-12(15)10-5-4-9(3)11(13)6-10/h4-6H,1,7,13H2,2-3H3,(H,14,15)
InChIKeyDEOOORUYUNFIED-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide

3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114614951) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID114614951
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C12H16N2O/c1-8(2)7-14-12(15)10-5-4-9(3)11(13)6-10/h4-6H,1,7,13H2,2-3H3,(H,14,15)
InChIKeyDEOOORUYUNFIED-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.88
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

ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
3-amino-N-(2-ethylsulfinylethyl)-4-methylbenzamide
CID 113266704
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 83107775
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
3-amino-4-methyl-N-pent-3-ynylbenzamide
CID 116642528
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide (CID 114614951) is 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is DEOOORUYUNFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)7-14-12(15)10-5-4-9(3)11(13)6-10/h4-6H,1,7,13H2,2-3H3,(H,14,15).
What are the key properties of 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide?
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 204.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114614951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).