2-(propan-2-ylamino)-N-prop-2-enylbenzamide

C13H18N2O — CID 63101364

IUPAC2-(propan-2-ylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C13H18N2O/c1-4-9-14-13(16)11-7-5-6-8-12(11)15-10(2)3/h4-8,10,15H,1,9H2,2-3H3,(H,14,16)
InChIKeyRBHVNNURAANSMA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds5

About 2-(propan-2-ylamino)-N-prop-2-enylbenzamide

2-(propan-2-ylamino)-N-prop-2-enylbenzamide (PubChem CID 63101364) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-prop-2-enylbenzamide
PubChem CID63101364
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(propan-2-ylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C13H18N2O/c1-4-9-14-13(16)11-7-5-6-8-12(11)15-10(2)3/h4-8,10,15H,1,9H2,2-3H3,(H,14,16)
InChIKeyRBHVNNURAANSMA-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(propan-2-ylamino)-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 34744685
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 2-(propan-2-ylamino)-N-prop-2-enylbenzamide (CID 63101364) is 2-(propan-2-ylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)-N-prop-2-enylbenzamide?
The InChIKey is RBHVNNURAANSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-9-14-13(16)11-7-5-6-8-12(11)15-10(2)3/h4-8,10,15H,1,9H2,2-3H3,(H,14,16).
What are the key properties of 2-(propan-2-ylamino)-N-prop-2-enylbenzamide?
2-(propan-2-ylamino)-N-prop-2-enylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 63101364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).