N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide

C15H20N2O2 — CID 115691704

IUPACN-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)N(C)CCC(C)O
InChIInChI=1S/C15H20N2O2/c1-10(18)8-9-17(3)15(19)14-11(2)16-13-7-5-4-6-12(13)14/h4-7,10,16,18H,8-9H2,1-3H3
InChIKeyRECBYJIVSGQCEO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds4

About N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide

N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide (PubChem CID 115691704) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
PubChem CID115691704
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)N(C)CCC(C)O
InChIInChI=1S/C15H20N2O2/c1-10(18)8-9-17(3)15(19)14-11(2)16-13-7-5-4-6-12(13)14/h4-7,10,16,18H,8-9H2,1-3H3
InChIKeyRECBYJIVSGQCEO-UHFFFAOYSA-N
XLogP2.32
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-3-carboxamide
CID 64510104
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
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2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
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N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
CID 170645728
CID 170645728
2-ethyl-3-methyl-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 82254393
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
(2-methyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339223

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide (CID 115691704) is N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide?
The InChIKey is RECBYJIVSGQCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(18)8-9-17(3)15(19)14-11(2)16-13-7-5-4-6-12(13)14/h4-7,10,16,18H,8-9H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide?
N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 115691704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).