N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H22N2O3 — CID 47037011

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1
InChIInChI=1S/C19H22N2O3/c1-12-17-15(7-4-8-16(17)22)21-18(12)19(23)20-10-13-5-3-6-14(9-13)11-24-2/h3,5-6,9,21H,4,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyMVOPHOWDWRTVBZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.92
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 47037011) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID47037011
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1
InChIInChI=1S/C19H22N2O3/c1-12-17-15(7-4-8-16(17)22)21-18(12)19(23)20-10-13-5-3-6-14(9-13)11-24-2/h3,5-6,9,21H,4,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyMVOPHOWDWRTVBZ-UHFFFAOYSA-N
XLogP2.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47082963
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
benzyl 2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetate
CID 30581431
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 163317262
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55720528
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
2-methyl-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701412
(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55846959
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
3-methyl-4-oxo-N'-(pyridine-3-carbonyl)-1,5,6,7-tetrahydroindole-2-carbohydrazide
CID 35016480
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 47037011) is N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is COCc1cccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is MVOPHOWDWRTVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-17-15(7-4-8-16(17)22)21-18(12)19(23)20-10-13-5-3-6-14(9-13)11-24-2/h3,5-6,9,21H,4,7-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 47037011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).