propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate

C16H29NO3 — CID 56843152

IUPACpropyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29NO3/c1-5-8-20-15(18)10-17-16(19)14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,17,19)
InChIKeyNOHWSHIQJRPKOC-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.76
Rot. Bonds6

About propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate

propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate (PubChem CID 56843152) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
PubChem CID56843152
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namepropyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29NO3/c1-5-8-20-15(18)10-17-16(19)14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,17,19)
InChIKeyNOHWSHIQJRPKOC-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The IUPAC name of propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate (CID 56843152) is propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The canonical SMILES for propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate is CCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The InChIKey is NOHWSHIQJRPKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-8-20-15(18)10-17-16(19)14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,17,19).
What are the key properties of propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 56843152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).