(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C17H18N2O2 — CID 61155814

IUPAC(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2)c1
InChIInChI=1S/C17H18N2O2/c1-21-11-12-5-4-7-14(9-12)18-17(20)16-10-13-6-2-3-8-15(13)19-16/h2-9,16,19H,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyBYVGGLVGIPEBMQ-INIZCTEOSA-N
MW282.34 g/mol
LogP2.81
Rot. Bonds4

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

(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61155814) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61155814
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2)c1
InChIInChI=1S/C17H18N2O2/c1-21-11-12-5-4-7-14(9-12)18-17(20)16-10-13-6-2-3-8-15(13)19-16/h2-9,16,19H,10-11H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyBYVGGLVGIPEBMQ-INIZCTEOSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
(2S)-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61178228
N-(4-chloro-3-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887353

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61155814) is (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is COCc1cccc(NC(=O)[C@@H]2Cc3ccccc3N2)c1.
What is the InChIKey of (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is BYVGGLVGIPEBMQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-11-12-5-4-7-14(9-12)18-17(20)16-10-13-6-2-3-8-15(13)19-16/h2-9,16,19H,10-11H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61155814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).