benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate

C22H26N2O3 — CID 69455097

IUPACbenzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
SMILESO=C(NCC1CCC(C(=O)Nc2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(24-20-9-5-2-6-10-20)19-13-11-17(12-14-19)15-23-22(26)27-16-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2,(H,23,26)(H,24,25)
InChIKeyXMLGUPFTJCEXIX-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.36
Rot. Bonds6

About benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate

benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate (PubChem CID 69455097) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
PubChem CID69455097
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
SMILESO=C(NCC1CCC(C(=O)Nc2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(24-20-9-5-2-6-10-20)19-13-11-17(12-14-19)15-23-22(26)27-16-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2,(H,23,26)(H,24,25)
InChIKeyXMLGUPFTJCEXIX-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53419264
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benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
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benzyl N-(oxetan-3-ylmethyl)carbamate
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benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
benzyl N-[1-[[4-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 42927187
benzyl N-(thian-3-ylmethyl)carbamate
CID 130813410
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
CID 121454489
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate (CID 69455097) is benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate is O=C(NCC1CCC(C(=O)Nc2ccccc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate?
The InChIKey is XMLGUPFTJCEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(24-20-9-5-2-6-10-20)19-13-11-17(12-14-19)15-23-22(26)27-16-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2,(H,23,26)(H,24,25).
What are the key properties of benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate?
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 69455097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).