N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide

C14H18N2O2 — CID 115771732

IUPACN-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
SMILESCCN(CCCO)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O2/c1-2-16(8-3-9-17)14(18)12-4-5-13-11(10-12)6-7-15-13/h4-7,10,15,17H,2-3,8-9H2,1H3
InChIKeyDMAOBEWWLDUEID-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide

N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide (PubChem CID 115771732) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
PubChem CID115771732
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
SMILESCCN(CCCO)C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O2/c1-2-16(8-3-9-17)14(18)12-4-5-13-11(10-12)6-7-15-13/h4-7,10,15,17H,2-3,8-9H2,1H3
InChIKeyDMAOBEWWLDUEID-UHFFFAOYSA-N
XLogP2.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N-methyl-N-(4-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 63716577
N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide
CID 77096347
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
2-[1H-indole-5-carbonyl(methyl)amino]butanoic acid
CID 63748775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide (CID 115771732) is N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide is CCN(CCCO)C(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide?
The InChIKey is DMAOBEWWLDUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-16(8-3-9-17)14(18)12-4-5-13-11(10-12)6-7-15-13/h4-7,10,15,17H,2-3,8-9H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.01, 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)-1H-indole-5-carboxamide is sourced from PubChem (CID 115771732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).