methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate

C18H26N2O3 — CID 42697991

IUPACmethyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-23-17(21)12-13-20(14-15-8-4-2-5-9-15)18(22)19-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,19,22)
InChIKeyHLUGWNKJBDTWAB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.09
Rot. Bonds6

About methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate

methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate (PubChem CID 42697991) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
PubChem CID42697991
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-23-17(21)12-13-20(14-15-8-4-2-5-9-15)18(22)19-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,19,22)
InChIKeyHLUGWNKJBDTWAB-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
CID 42699430
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
1-benzyl-1-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-3-cyclohexylurea
CID 141132755
3-cyclohexyl-1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3572608
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
methyl 3-[benzyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoate
CID 42698000
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate?
The IUPAC name of methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate (CID 42697991) is methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate?
The InChIKey is HLUGWNKJBDTWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17(21)12-13-20(14-15-8-4-2-5-9-15)18(22)19-16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,19,22).
What are the key properties of methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate?
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate has a molecular weight of 318.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate is sourced from PubChem (CID 42697991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).