N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide

C16H22N2O — CID 3239976

IUPACN-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
SMILESCc1cc2cc(CNC(=O)CC(C)C)ccc2n1C
InChIInChI=1S/C16H22N2O/c1-11(2)7-16(19)17-10-13-5-6-15-14(9-13)8-12(3)18(15)4/h5-6,8-9,11H,7,10H2,1-4H3,(H,17,19)
InChIKeyWPPGCFHHWLLKIA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.15
Rot. Bonds4

About N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide

N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide (PubChem CID 3239976) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
PubChem CID3239976
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
SMILESCc1cc2cc(CNC(=O)CC(C)C)ccc2n1C
InChIInChI=1S/C16H22N2O/c1-11(2)7-16(19)17-10-13-5-6-15-14(9-13)8-12(3)18(15)4/h5-6,8-9,11H,7,10H2,1-4H3,(H,17,19)
InChIKeyWPPGCFHHWLLKIA-UHFFFAOYSA-N
XLogP3.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
CID 110427865
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110613618
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 110668205
N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110425662
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide (CID 3239976) is N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide is Cc1cc2cc(CNC(=O)CC(C)C)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide?
The InChIKey is WPPGCFHHWLLKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)7-16(19)17-10-13-5-6-15-14(9-13)8-12(3)18(15)4/h5-6,8-9,11H,7,10H2,1-4H3,(H,17,19).
What are the key properties of N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide?
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide has a molecular weight of 258.36 g/mol, XLogP of 3.15, 4 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]-3-methylbutanamide is sourced from PubChem (CID 3239976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).