N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide

C17H22N2O2 — CID 75451316

IUPACN-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CCC1
InChIInChI=1S/C17H22N2O2/c1-11-12(2)19-15-6-5-13(9-14(11)15)16(20)18-10-17(21-3)7-4-8-17/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyGVNLZVNVJXUMTP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.08
Rot. Bonds4

About N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 75451316) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID75451316
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CCC1
InChIInChI=1S/C17H22N2O2/c1-11-12(2)19-15-6-5-13(9-14(11)15)16(20)18-10-17(21-3)7-4-8-17/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyGVNLZVNVJXUMTP-UHFFFAOYSA-N
XLogP3.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
2,3-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 107271669
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 41490708
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
N-(1-methoxy-2-methylpropan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115606615

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 75451316) is N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide is COC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is GVNLZVNVJXUMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-12(2)19-15-6-5-13(9-14(11)15)16(20)18-10-17(21-3)7-4-8-17/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 75451316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).