methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate

C14H25NO3 — CID 161131718

IUPACmethyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
SMILESCOC(=O)N[C@H](C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-10(2)9-12(16)13(15-14(17)18-3)11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyWTNCWLMBFJUPMI-ZDUSSCGKSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds5

About methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate

methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate (PubChem CID 161131718) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
PubChem CID161131718
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate
SMILESCOC(=O)N[C@H](C(=O)CC(C)C)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-10(2)9-12(16)13(15-14(17)18-3)11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyWTNCWLMBFJUPMI-ZDUSSCGKSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
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methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
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methyl N-(1-cyclohexylprop-2-enyl)carbamate
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methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
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methyl N-[cyano(cyclohexyl)methyl]carbamate
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tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
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2-methylpropyl 2-cyclohexyl-2-(2,2,2-trichloroethoxycarbonylamino)acetate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate (CID 161131718) is methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate is COC(=O)N[C@H](C(=O)CC(C)C)C1CCCCC1.
What is the InChIKey of methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate?
The InChIKey is WTNCWLMBFJUPMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)9-12(16)13(15-14(17)18-3)11-7-5-4-6-8-11/h10-11,13H,4-9H2,1-3H3,(H,15,17)/t13-/m0/s1.
What are the key properties of methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate?
methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate has a molecular weight of 255.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-cyclohexyl-4-methyl-2-oxopentyl]carbamate is sourced from PubChem (CID 161131718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).