N-[(1,2-dimethylindol-5-yl)methyl]pentanamide

C16H22N2O — CID 3240585

IUPACN-[(1,2-dimethylindol-5-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C16H22N2O/c1-4-5-6-16(19)17-11-13-7-8-15-14(10-13)9-12(2)18(15)3/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyVVXPTFAWAGMRSI-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.29
Rot. Bonds5

About N-[(1,2-dimethylindol-5-yl)methyl]pentanamide

N-[(1,2-dimethylindol-5-yl)methyl]pentanamide (PubChem CID 3240585) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-5-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]pentanamide
PubChem CID3240585
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C16H22N2O/c1-4-5-6-16(19)17-11-13-7-8-15-14(10-13)9-12(2)18(15)3/h7-10H,4-6,11H2,1-3H3,(H,17,19)
InChIKeyVVXPTFAWAGMRSI-UHFFFAOYSA-N
XLogP3.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]pentanamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]pentanamide (CID 3240585) is N-[(1,2-dimethylindol-5-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]pentanamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]pentanamide is CCCCC(=O)NCc1ccc2c(c1)cc(C)n2C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]pentanamide?
The InChIKey is VVXPTFAWAGMRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-5-6-16(19)17-11-13-7-8-15-14(10-13)9-12(2)18(15)3/h7-10H,4-6,11H2,1-3H3,(H,17,19).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]pentanamide?
N-[(1,2-dimethylindol-5-yl)methyl]pentanamide has a molecular weight of 258.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-5-yl)methyl]pentanamide is sourced from PubChem (CID 3240585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).