N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C17H20N2O — CID 118425243

IUPACN-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyUDCFWZPYAWGYFM-LBPRGKRZSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (PubChem CID 118425243) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
PubChem CID118425243
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyUDCFWZPYAWGYFM-LBPRGKRZSA-N
XLogP3.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 59356747
4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54725735
(2R)-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]-2-phenylacetic acid
CID 119368016
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9032455
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 108791657
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (CID 118425243) is N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is C[C@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is UDCFWZPYAWGYFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16/h2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 118425243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).