3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide

C16H23NO — CID 122550804

IUPAC3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide
SMILESCC(C)(C)CC(=O)N[C@@]1(C)CCc2ccccc21
InChIInChI=1S/C16H23NO/c1-15(2,3)11-14(18)17-16(4)10-9-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3,(H,17,18)/t16-/m0/s1
InChIKeySRMVRADXPLTQSS-INIZCTEOSA-N
MW245.37 g/mol
LogP3.40
Rot. Bonds2

About 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide

3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide (PubChem CID 122550804) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide
PubChem CID122550804
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide
SMILESCC(C)(C)CC(=O)N[C@@]1(C)CCc2ccccc21
InChIInChI=1S/C16H23NO/c1-15(2,3)11-14(18)17-16(4)10-9-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3,(H,17,18)/t16-/m0/s1
InChIKeySRMVRADXPLTQSS-INIZCTEOSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
propan-2-yl N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]carbamate
CID 122550821
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 52525290
2-[(1-methyl-2,3-dihydroinden-1-yl)amino]ethanol
CID 130905101
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
benzyl N-(1,6-dimethyl-2,3-dihydroinden-1-yl)carbamate
CID 145156063
tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 177368501
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
2-[(1S)-1-methyl-2,3-dihydroinden-1-yl]ethyl acetate
CID 146167069
N-(1,4-dimethylpiperidin-4-yl)-3,3-dimethylbutanamide;ethane
CID 142327060
N-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97314752

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide (CID 122550804) is 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide is CC(C)(C)CC(=O)N[C@@]1(C)CCc2ccccc21.
What is the InChIKey of 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide?
The InChIKey is SRMVRADXPLTQSS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2,3)11-14(18)17-16(4)10-9-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3,(H,17,18)/t16-/m0/s1.
What are the key properties of 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide?
3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide has a molecular weight of 245.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1S)-1-methyl-2,3-dihydroinden-1-yl]butanamide is sourced from PubChem (CID 122550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).