N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide

C15H20N2O2 — CID 115771939

IUPACN-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
SMILESCCN(CCCO)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-3-17(9-6-10-18)15(19)14-11(2)16-13-8-5-4-7-12(13)14/h4-5,7-8,16,18H,3,6,9-10H2,1-2H3
InChIKeyVCPLTFPOAGHLQB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide

N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide (PubChem CID 115771939) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
PubChem CID115771939
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
SMILESCCN(CCCO)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-3-17(9-6-10-18)15(19)14-11(2)16-13-8-5-4-7-12(13)14/h4-5,7-8,16,18H,3,6,9-10H2,1-2H3
InChIKeyVCPLTFPOAGHLQB-UHFFFAOYSA-N
XLogP2.32
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
N-(3-hydroxybutyl)-N,2-dimethyl-1H-indole-3-carboxamide
CID 115691704
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide (CID 115771939) is N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide is CCN(CCCO)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide?
The InChIKey is VCPLTFPOAGHLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-17(9-6-10-18)15(19)14-11(2)16-13-8-5-4-7-12(13)14/h4-5,7-8,16,18H,3,6,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 115771939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).