benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate

C16H23NO3 — CID 174499936

IUPACbenzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
SMILESCOCC1CCCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-19-12-14-9-5-6-10-15(14)17-16(18)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18)/t14?,15-/m0/s1
InChIKeyUSOCWFYHPUCYKA-LOACHALJSA-N
MW277.36 g/mol
LogP3.12
Rot. Bonds5

About benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate

benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate (PubChem CID 174499936) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
PubChem CID174499936
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namebenzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
SMILESCOCC1CCCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-19-12-14-9-5-6-10-15(14)17-16(18)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18)/t14?,15-/m0/s1
InChIKeyUSOCWFYHPUCYKA-LOACHALJSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2S)-2-tert-butylsulfanylcyclohexyl]carbamate
CID 10947212
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate (CID 174499936) is benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate is COCC1CCCC[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate?
The InChIKey is USOCWFYHPUCYKA-LOACHALJSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-12-14-9-5-6-10-15(14)17-16(18)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,17,18)/t14?,15-/m0/s1.
What are the key properties of benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate?
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate is sourced from PubChem (CID 174499936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).