2-(1-benzylindol-3-yl)-N-methylacetamide

C18H18N2O — CID 13010553

IUPAC2-(1-benzylindol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-19-18(21)11-15-13-20(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyNATGHOYHCJMDHW-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.98
Rot. Bonds4

About 2-(1-benzylindol-3-yl)-N-methylacetamide

2-(1-benzylindol-3-yl)-N-methylacetamide (PubChem CID 13010553) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)-N-methylacetamide
PubChem CID13010553
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(1-benzylindol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H18N2O/c1-19-18(21)11-15-13-20(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyNATGHOYHCJMDHW-UHFFFAOYSA-N
XLogP2.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
2-(1-benzylindol-3-yl)ethanol
CID 13134935
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
2-(1-benzylindol-3-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]acetohydrazide
CID 54467660
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
CID 16820622
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)-N-methylacetamide (CID 13010553) is 2-(1-benzylindol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)-N-methylacetamide is CNC(=O)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindol-3-yl)-N-methylacetamide?
The InChIKey is NATGHOYHCJMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-19-18(21)11-15-13-20(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-10,13H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(1-benzylindol-3-yl)-N-methylacetamide?
2-(1-benzylindol-3-yl)-N-methylacetamide has a molecular weight of 278.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)-N-methylacetamide is sourced from PubChem (CID 13010553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).