N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide

C15H22N2O2 — CID 107199269

IUPACN-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H22N2O2/c1-17(9-3-2-4-10-18)15(19)13-6-5-12-7-8-16-14(12)11-13/h5-6,11,16,18H,2-4,7-10H2,1H3
InChIKeyYILIATWCKCIGCX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds6

About N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide

N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 107199269) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID107199269
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H22N2O2/c1-17(9-3-2-4-10-18)15(19)13-6-5-12-7-8-16-14(12)11-13/h5-6,11,16,18H,2-4,7-10H2,1H3
InChIKeyYILIATWCKCIGCX-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
CID 114230179
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 107199978
N-(5-hydroxypentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107203154
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
N-(cyclopropylmethyl)-N-ethyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382644
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 107200809
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 107200821

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide (CID 107199269) is N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide is CN(CCCCCO)C(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is YILIATWCKCIGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(9-3-2-4-10-18)15(19)13-6-5-12-7-8-16-14(12)11-13/h5-6,11,16,18H,2-4,7-10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 107199269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).