propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate

C15H27NO3 — CID 71263253

IUPACpropan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)C1CCC(CNC(=O)C(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(2)14(17)16-9-12-5-7-13(8-6-12)15(18)19-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyXUABSWNDIZOAIW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate

propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 71263253) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate
PubChem CID71263253
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namepropan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)C1CCC(CNC(=O)C(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-10(2)14(17)16-9-12-5-7-13(8-6-12)15(18)19-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyXUABSWNDIZOAIW-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl cyclopropanecarboxylate
CID 550170
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
4-[[(4-amino-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 80545198
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79531735

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate (CID 71263253) is propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate is CC(C)OC(=O)C1CCC(CNC(=O)C(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is XUABSWNDIZOAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)14(17)16-9-12-5-7-13(8-6-12)15(18)19-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate?
propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 71263253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).