(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide

C14H18N2O — CID 61155358

IUPAC(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(C(=O)[C@@H]1Cc2ccccc2N1)C1CC1
InChIInChI=1S/C14H18N2O/c1-2-16(11-7-8-11)14(17)13-9-10-5-3-4-6-12(10)15-13/h3-6,11,13,15H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyWOUGNZJUWJMNRP-ZDUSSCGKSA-N
MW230.31 g/mol
LogP2.03
Rot. Bonds3

About (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61155358) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61155358
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCN(C(=O)[C@@H]1Cc2ccccc2N1)C1CC1
InChIInChI=1S/C14H18N2O/c1-2-16(11-7-8-11)14(17)13-9-10-5-3-4-6-12(10)15-13/h3-6,11,13,15H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyWOUGNZJUWJMNRP-ZDUSSCGKSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
CID 76894224
ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
CID 76894982
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
(2S)-N-ethyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61165256
N-butyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76892094
N-ethyl-N-(2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567400
N-ethyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892548
(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61164482
(2S)-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 113426017
(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156300

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide (CID 61155358) is (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide is CCN(C(=O)[C@@H]1Cc2ccccc2N1)C1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is WOUGNZJUWJMNRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-16(11-7-8-11)14(17)13-9-10-5-3-4-6-12(10)15-13/h3-6,11,13,15H,2,7-9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61155358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).