3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide

C17H22N2O2 — CID 103991132

IUPAC3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
SMILESCOC1(CNC(=O)CCc2c[nH]c3ccccc23)CCC1
InChIInChI=1S/C17H22N2O2/c1-21-17(9-4-10-17)12-19-16(20)8-7-13-11-18-15-6-3-2-5-14(13)15/h2-3,5-6,11,18H,4,7-10,12H2,1H3,(H,19,20)
InChIKeyOPFGBFNMTGRPHQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.79
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide

3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide (PubChem CID 103991132) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
PubChem CID103991132
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide
SMILESCOC1(CNC(=O)CCc2c[nH]c3ccccc23)CCC1
InChIInChI=1S/C17H22N2O2/c1-21-17(9-4-10-17)12-19-16(20)8-7-13-11-18-15-6-3-2-5-14(13)15/h2-3,5-6,11,18H,4,7-10,12H2,1H3,(H,19,20)
InChIKeyOPFGBFNMTGRPHQ-UHFFFAOYSA-N
XLogP2.79
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide (CID 103991132) is 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide is COC1(CNC(=O)CCc2c[nH]c3ccccc23)CCC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide?
The InChIKey is OPFGBFNMTGRPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-17(9-4-10-17)12-19-16(20)8-7-13-11-18-15-6-3-2-5-14(13)15/h2-3,5-6,11,18H,4,7-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide has a molecular weight of 286.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(1-methoxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 103991132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).