N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide

C16H22N2O3 — CID 110022441

IUPACN-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCCCOCCO)[nH]c2c1
InChIInChI=1S/C16H22N2O3/c1-11-8-12(2)13-10-15(18-14(13)9-11)16(20)17-4-3-6-21-7-5-19/h8-10,18-19H,3-7H2,1-2H3,(H,17,20)
InChIKeyGUHTWTWJSUQIKE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.91
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 110022441) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID110022441
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCCCOCCO)[nH]c2c1
InChIInChI=1S/C16H22N2O3/c1-11-8-12(2)13-10-15(18-14(13)9-11)16(20)17-4-3-6-21-7-5-19/h8-10,18-19H,3-7H2,1-2H3,(H,17,20)
InChIKeyGUHTWTWJSUQIKE-UHFFFAOYSA-N
XLogP1.91
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide (CID 110022441) is N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCCCOCCO)[nH]c2c1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is GUHTWTWJSUQIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-12(2)13-10-15(18-14(13)9-11)16(20)17-4-3-6-21-7-5-19/h8-10,18-19H,3-7H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110022441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).