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

C13H18N2O2 — CID 114230179

IUPACN-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
SMILESCN(CCCO)C(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H18N2O2/c1-15(7-2-8-16)13(17)11-4-3-10-5-6-14-12(10)9-11/h3-4,9,14,16H,2,5-8H2,1H3
InChIKeyLGUJZZYJHRDNTB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.11
Rot. Bonds4

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

N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 114230179) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID114230179
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
SMILESCN(CCCO)C(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H18N2O2/c1-15(7-2-8-16)13(17)11-4-3-10-5-6-14-12(10)9-11/h3-4,9,14,16H,2,5-8H2,1H3
InChIKeyLGUJZZYJHRDNTB-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
CID 107199269
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 107199978
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-(cyclopropylmethyl)-N-ethyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382644
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
N-(5-hydroxypentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107203154
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
CID 116611875
N-butyl-N-ethyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142468
N-methyl-N-(2-methylsulfanylethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 112658883
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide (CID 114230179) is N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide is CN(CCCO)C(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is LGUJZZYJHRDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(7-2-8-16)13(17)11-4-3-10-5-6-14-12(10)9-11/h3-4,9,14,16H,2,5-8H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide?
N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 114230179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).