N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide

C19H22N2O — CID 52500328

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)N(C)[C@H]1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-20(16-9-4-3-5-10-16)14-19(22)21(2)18-13-12-15-8-6-7-11-17(15)18/h3-11,18H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyQEWHDFKYTPNBGZ-SFHVURJKSA-N
MW294.40 g/mol
LogP3.27
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide (PubChem CID 52500328) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
PubChem CID52500328
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)N(C)[C@H]1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-20(16-9-4-3-5-10-16)14-19(22)21(2)18-13-12-15-8-6-7-11-17(15)18/h3-11,18H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyQEWHDFKYTPNBGZ-SFHVURJKSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
CID 111332362
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide;hydrochloride
CID 119702279
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide (CID 52500328) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide is CN(CC(=O)N(C)[C@H]1CCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide?
The InChIKey is QEWHDFKYTPNBGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20(16-9-4-3-5-10-16)14-19(22)21(2)18-13-12-15-8-6-7-11-17(15)18/h3-11,18H,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide is sourced from PubChem (CID 52500328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).