N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide

C19H20N2O — CID 112824415

IUPACN-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O/c1-2-13-20(15-16-8-4-3-5-9-16)19(22)21-14-12-17-10-6-7-11-18(17)21/h2-11H,1,12-15H2
InChIKeyDJTIFKNQZPIQKI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.86
Rot. Bonds4

About N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide

N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide (PubChem CID 112824415) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide
PubChem CID112824415
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide
SMILESC=CCN(Cc1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O/c1-2-13-20(15-16-8-4-3-5-9-16)19(22)21-14-12-17-10-6-7-11-18(17)21/h2-11H,1,12-15H2
InChIKeyDJTIFKNQZPIQKI-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
2-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79270849
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,3-dihydroindole-1-carboxylate
CID 22162806
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide (CID 112824415) is N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide is C=CCN(Cc1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is DJTIFKNQZPIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-13-20(15-16-8-4-3-5-9-16)19(22)21-14-12-17-10-6-7-11-18(17)21/h2-11H,1,12-15H2.
What are the key properties of N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide?
N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 112824415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).