2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide

C16H22N2O — CID 110734611

IUPAC2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide
SMILESCc1cc2cc(CCNC(=O)C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C16H22N2O/c1-11-9-13-10-12(5-6-14(13)18-11)7-8-17-15(19)16(2,3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyRWDGZGDDQXVBJD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.18
Rot. Bonds3

About 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide (PubChem CID 110734611) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide
PubChem CID110734611
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide
SMILESCc1cc2cc(CCNC(=O)C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C16H22N2O/c1-11-9-13-10-12(5-6-14(13)18-11)7-8-17-15(19)16(2,3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyRWDGZGDDQXVBJD-UHFFFAOYSA-N
XLogP3.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
2-methyl-1-(2-methyl-1H-indol-5-yl)propan-2-ol
CID 117204563
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
2-methyl-5-(3-methylbutyl)-1H-indole
CID 135233610
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
4-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]ethyl]benzoic acid
CID 75415241
N-butan-2-yl-2-(2-methyl-1H-indol-5-yl)acetamide
CID 110703838
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide (CID 110734611) is 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide is Cc1cc2cc(CCNC(=O)C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide?
The InChIKey is RWDGZGDDQXVBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-13-10-12(5-6-14(13)18-11)7-8-17-15(19)16(2,3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide has a molecular weight of 258.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methyl-1H-indol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110734611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).