N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide

C16H20N2O2 — CID 103742649

IUPACN-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCC1(CNC(=O)c2c[nH]c3ccccc23)CCOCC1
InChIInChI=1S/C16H20N2O2/c1-16(6-8-20-9-7-16)11-18-15(19)13-10-17-14-5-3-2-4-12(13)14/h2-5,10,17H,6-9,11H2,1H3,(H,18,19)
InChIKeyDHWSYKQGVHDZRL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide

N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 103742649) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
PubChem CID103742649
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCC1(CNC(=O)c2c[nH]c3ccccc23)CCOCC1
InChIInChI=1S/C16H20N2O2/c1-16(6-8-20-9-7-16)11-18-15(19)13-10-17-14-5-3-2-4-12(13)14/h2-5,10,17H,6-9,11H2,1H3,(H,18,19)
InChIKeyDHWSYKQGVHDZRL-UHFFFAOYSA-N
XLogP2.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
N-[(1-ethylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 103766558
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 103742502
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
1H-indol-3-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921378

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide (CID 103742649) is N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide is CC1(CNC(=O)c2c[nH]c3ccccc23)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is DHWSYKQGVHDZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(6-8-20-9-7-16)11-18-15(19)13-10-17-14-5-3-2-4-12(13)14/h2-5,10,17H,6-9,11H2,1H3,(H,18,19).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide?
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 103742649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).