2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide

C16H22N2O — CID 4162506

IUPAC2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
SMILESCc1cc2ccccc2n1CCNC(=O)C(C)(C)C
InChIInChI=1S/C16H22N2O/c1-12-11-13-7-5-6-8-14(13)18(12)10-9-17-15(19)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyHGTPAVLIAVIEHJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds3

About 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide (PubChem CID 4162506) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
PubChem CID4162506
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
SMILESCc1cc2ccccc2n1CCNC(=O)C(C)(C)C
InChIInChI=1S/C16H22N2O/c1-12-11-13-7-5-6-8-14(13)18(12)10-9-17-15(19)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyHGTPAVLIAVIEHJ-UHFFFAOYSA-N
XLogP3.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide (CID 4162506) is 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide is Cc1cc2ccccc2n1CCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The InChIKey is HGTPAVLIAVIEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-11-13-7-5-6-8-14(13)18(12)10-9-17-15(19)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide has a molecular weight of 258.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 4162506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).