(5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate

C19H29NO2 — CID 19362168

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate
SMILESCC1CCC(C(C)C)C(OC(=O)CNCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-14(2)17-10-9-15(3)11-18(17)22-19(21)13-20-12-16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3
InChIKeyXOYKDRRWCABBOK-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.78
Rot. Bonds6

About (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate (PubChem CID 19362168) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate
PubChem CID19362168
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate
SMILESCC1CCC(C(C)C)C(OC(=O)CNCc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-14(2)17-10-9-15(3)11-18(17)22-19(21)13-20-12-16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3
InChIKeyXOYKDRRWCABBOK-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate (CID 19362168) is (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate is CC1CCC(C(C)C)C(OC(=O)CNCc2ccccc2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate?
The InChIKey is XOYKDRRWCABBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)17-10-9-15(3)11-18(17)22-19(21)13-20-12-16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate has a molecular weight of 303.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-(benzylamino)acetate is sourced from PubChem (CID 19362168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).