(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide

C15H22N2O — CID 95147060

IUPAC(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-11(8-15(18)16-2)17(3)14-9-12-6-4-5-7-13(12)10-14/h4-7,11,14H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyOWEBRXBSMJJITJ-LLVKDONJSA-N
MW246.35 g/mol
LogP1.61
Rot. Bonds4

About (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide

(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide (PubChem CID 95147060) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
PubChem CID95147060
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
SMILESCNC(=O)C[C@@H](C)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-11(8-15(18)16-2)17(3)14-9-12-6-4-5-7-13(12)10-14/h4-7,11,14H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyOWEBRXBSMJJITJ-LLVKDONJSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
CID 54123680
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
1-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-methylurea
CID 143354834
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
N-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 95126700
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide
CID 125177880
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
CID 119746184
N-methyl-3,3-diphenylpropanamide
CID 3373592
N-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanesulfonamide
CID 21253375

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide?
The IUPAC name of (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide (CID 95147060) is (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide.
What is the SMILES notation for (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide?
The canonical SMILES for (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide is CNC(=O)C[C@@H](C)N(C)C1Cc2ccccc2C1.
What is the InChIKey of (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide?
The InChIKey is OWEBRXBSMJJITJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(8-15(18)16-2)17(3)14-9-12-6-4-5-7-13(12)10-14/h4-7,11,14H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide?
(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide is sourced from PubChem (CID 95147060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).