methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate

C14H23NO4 — CID 123644813

IUPACmethyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCCC(=O)N(CC1CCC(C(=O)OC)CC1)C(C)=O
InChIInChI=1S/C14H23NO4/c1-4-13(17)15(10(2)16)9-11-5-7-12(8-6-11)14(18)19-3/h11-12H,4-9H2,1-3H3
InChIKeyIMHMXAWUWUPTFO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.75
Rot. Bonds4

About methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate

methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 123644813) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID123644813
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCCC(=O)N(CC1CCC(C(=O)OC)CC1)C(C)=O
InChIInChI=1S/C14H23NO4/c1-4-13(17)15(10(2)16)9-11-5-7-12(8-6-11)14(18)19-3/h11-12H,4-9H2,1-3H3
InChIKeyIMHMXAWUWUPTFO-UHFFFAOYSA-N
XLogP1.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate (CID 123644813) is methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate is CCC(=O)N(CC1CCC(C(=O)OC)CC1)C(C)=O.
What is the InChIKey of methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is IMHMXAWUWUPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-13(17)15(10(2)16)9-11-5-7-12(8-6-11)14(18)19-3/h11-12H,4-9H2,1-3H3.
What are the key properties of methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[acetyl(propanoyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 123644813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).