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

C14H20N2O — CID 61108768

IUPAC3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(N)c1C)C(C)C
InChIInChI=1S/C14H20N2O/c1-5-9-16(10(2)3)14(17)12-7-6-8-13(15)11(12)4/h5-8,10H,1,9,15H2,2-4H3
InChIKeyLNHUQOXSQHRQDJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.61
Rot. Bonds4

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

3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide (PubChem CID 61108768) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
PubChem CID61108768
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(N)c1C)C(C)C
InChIInChI=1S/C14H20N2O/c1-5-9-16(10(2)3)14(17)12-7-6-8-13(15)11(12)4/h5-8,10H,1,9,15H2,2-4H3
InChIKeyLNHUQOXSQHRQDJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
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

2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 54905690
3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide
CID 81420096
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
2-bromo-3-nitro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113367106
N-propan-2-yl-N-prop-2-enyl-2-(propylamino)benzamide
CID 63108031
1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
CID 115280798
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide?
The IUPAC name of 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide (CID 61108768) is 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(N)c1C)C(C)C.
What is the InChIKey of 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide?
The InChIKey is LNHUQOXSQHRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-9-16(10(2)3)14(17)12-7-6-8-13(15)11(12)4/h5-8,10H,1,9,15H2,2-4H3.
What are the key properties of 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide?
3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide is sourced from PubChem (CID 61108768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).