(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide

C14H20N2O — CID 120873256

IUPAC(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-9(15)13(17)16-12-8-14(2,3)11-7-5-4-6-10(11)12/h4-7,9,12H,8,15H2,1-3H3,(H,16,17)/t9-,12?/m1/s1
InChIKeyXHTKLQWWXBQLMI-PKEIRNPWSA-N
MW232.33 g/mol
LogP1.87
Rot. Bonds2

About (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide

(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide (PubChem CID 120873256) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
PubChem CID120873256
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-9(15)13(17)16-12-8-14(2,3)11-7-5-4-6-10(11)12/h4-7,9,12H,8,15H2,1-3H3,(H,16,17)/t9-,12?/m1/s1
InChIKeyXHTKLQWWXBQLMI-PKEIRNPWSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide (CID 120873256) is (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide is C[C@@H](N)C(=O)NC1CC(C)(C)c2ccccc21.
What is the InChIKey of (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide?
The InChIKey is XHTKLQWWXBQLMI-PKEIRNPWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(15)13(17)16-12-8-14(2,3)11-7-5-4-6-10(11)12/h4-7,9,12H,8,15H2,1-3H3,(H,16,17)/t9-,12?/m1/s1.
What are the key properties of (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide?
(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide is sourced from PubChem (CID 120873256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).