(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C17H18N2O2 — CID 61162686

IUPAC(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H18N2O2/c1-19(11-12-6-8-14(20)9-7-12)17(21)16-10-13-4-2-3-5-15(13)18-16/h2-9,16,18,20H,10-11H2,1H3/t16-/m0/s1
InChIKeyBETMXUICPHVGKG-INIZCTEOSA-N
MW282.34 g/mol
LogP2.39
Rot. Bonds3

About (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61162686) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61162686
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H18N2O2/c1-19(11-12-6-8-14(20)9-7-12)17(21)16-10-13-4-2-3-5-15(13)18-16/h2-9,16,18,20H,10-11H2,1H3/t16-/m0/s1
InChIKeyBETMXUICPHVGKG-INIZCTEOSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155770
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659062
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894872
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 64517494

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 61162686) is (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(Cc1ccc(O)cc1)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BETMXUICPHVGKG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(11-12-6-8-14(20)9-7-12)17(21)16-10-13-4-2-3-5-15(13)18-16/h2-9,16,18,20H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61162686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).