N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C18H20N2O — CID 81363627

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C18H20N2O/c1-12-7-3-5-9-15(12)13(2)19-18(21)17-11-14-8-4-6-10-16(14)20-17/h3-10,13,17,20H,11H2,1-2H3,(H,19,21)/t13-,17?/m0/s1
InChIKeyHVLFFWXKCNNYBJ-CWQZNGJJSA-N
MW280.37 g/mol
LogP3.21
Rot. Bonds3

About N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 81363627) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID81363627
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C18H20N2O/c1-12-7-3-5-9-15(12)13(2)19-18(21)17-11-14-8-4-6-10-16(14)20-17/h3-10,13,17,20H,11H2,1-2H3,(H,19,21)/t13-,17?/m0/s1
InChIKeyHVLFFWXKCNNYBJ-CWQZNGJJSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155289
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76888120
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77045193

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 81363627) is N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccccc1[C@H](C)NC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HVLFFWXKCNNYBJ-CWQZNGJJSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-7-3-5-9-15(12)13(2)19-18(21)17-11-14-8-4-6-10-16(14)20-17/h3-10,13,17,20H,11H2,1-2H3,(H,19,21)/t13-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 81363627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).