N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide

C15H20N2O — CID 76892548

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O/c1-4-17(10-11(2)3)15(18)14-9-12-7-5-6-8-13(12)16-14/h5-8,14,16H,2,4,9-10H2,1,3H3
InChIKeyNLTCDXWBODFRTF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide

N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76892548) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76892548
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O/c1-4-17(10-11(2)3)15(18)14-9-12-7-5-6-8-13(12)16-14/h5-8,14,16H,2,4,9-10H2,1,3H3
InChIKeyNLTCDXWBODFRTF-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76892094
(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156300
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
N-[2-(methylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893982
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894026
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894894
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76904091
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 76892548) is N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide is C=C(C)CN(CC)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NLTCDXWBODFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-17(10-11(2)3)15(18)14-9-12-7-5-6-8-13(12)16-14/h5-8,14,16H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76892548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).