methyl 4-(hexanoylamino)cyclohexane-1-carboxylate

C14H25NO3 — CID 112689997

IUPACmethyl 4-(hexanoylamino)cyclohexane-1-carboxylate
SMILESCCCCCC(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-13(16)15-12-9-7-11(8-10-12)14(17)18-2/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyOGBKXFIUBJVVTM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.41
Rot. Bonds6

About methyl 4-(hexanoylamino)cyclohexane-1-carboxylate

methyl 4-(hexanoylamino)cyclohexane-1-carboxylate (PubChem CID 112689997) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 4-(hexanoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(hexanoylamino)cyclohexane-1-carboxylate
PubChem CID112689997
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 4-(hexanoylamino)cyclohexane-1-carboxylate
SMILESCCCCCC(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-13(16)15-12-9-7-11(8-10-12)14(17)18-2/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyOGBKXFIUBJVVTM-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate
CID 79204995
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713

Frequently Asked Questions

What is the IUPAC name of methyl 4-(hexanoylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(hexanoylamino)cyclohexane-1-carboxylate (CID 112689997) is methyl 4-(hexanoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(hexanoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(hexanoylamino)cyclohexane-1-carboxylate is CCCCCC(=O)NC1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(hexanoylamino)cyclohexane-1-carboxylate?
The InChIKey is OGBKXFIUBJVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-5-6-13(16)15-12-9-7-11(8-10-12)14(17)18-2/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-(hexanoylamino)cyclohexane-1-carboxylate?
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hexanoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 112689997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).