N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C21H26N2O3 — CID 55955402

IUPACN,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1ccccc1OCCCN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C21H26N2O3/c1-14-8-4-5-11-18(14)26-13-7-12-23(3)21(25)20-15(2)19-16(22-20)9-6-10-17(19)24/h4-5,8,11,22H,6-7,9-10,12-13H2,1-3H3
InChIKeyMJCHDIIUONZVIE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.69
Rot. Bonds6

About N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55955402) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID55955402
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1ccccc1OCCCN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C21H26N2O3/c1-14-8-4-5-11-18(14)26-13-7-12-23(3)21(25)20-15(2)19-16(22-20)9-6-10-17(19)24/h4-5,8,11,22H,6-7,9-10,12-13H2,1-3H3
InChIKeyMJCHDIIUONZVIE-UHFFFAOYSA-N
XLogP3.69
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31793322
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51175559
2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119189193
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37245091
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
2-[ethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
CID 119206034
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 94474458
N,3-dimethyl-4-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31683112
N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31683117
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55955402) is N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1ccccc1OCCCN(C)C(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is MJCHDIIUONZVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-8-4-5-11-18(14)26-13-7-12-23(3)21(25)20-15(2)19-16(22-20)9-6-10-17(19)24/h4-5,8,11,22H,6-7,9-10,12-13H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[3-(2-methylphenoxy)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55955402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).