3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide

C15H22N2O — CID 82821829

IUPAC3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C15H22N2O/c1-15(2)10-11-6-4-5-7-12(11)14(15)17-9-8-13(18)16-3/h4-7,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyIVUWNIGYLCLLRP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.04
Rot. Bonds4

About 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide

3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide (PubChem CID 82821829) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
PubChem CID82821829
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNC1c2ccccc2CC1(C)C
InChIInChI=1S/C15H22N2O/c1-15(2)10-11-6-4-5-7-12(11)14(15)17-9-8-13(18)16-3/h4-7,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyIVUWNIGYLCLLRP-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide (CID 82821829) is 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide is CNC(=O)CCNC1c2ccccc2CC1(C)C.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide?
The InChIKey is IVUWNIGYLCLLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2)10-11-6-4-5-7-12(11)14(15)17-9-8-13(18)16-3/h4-7,14,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide?
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 82821829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).