methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate

C17H24N2O4 — CID 75532248

IUPACmethyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(OCC(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C17H24N2O4/c1-12-6-8-13(9-7-12)18-16(20)11-23-15-5-3-4-14(10-15)19-17(21)22-2/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYNNKPMVMHQFMHL-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.94
Rot. Bonds5

About methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate

methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate (PubChem CID 75532248) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate
PubChem CID75532248
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(OCC(=O)NC2CCC(C)CC2)c1
InChIInChI=1S/C17H24N2O4/c1-12-6-8-13(9-7-12)18-16(20)11-23-15-5-3-4-14(10-15)19-17(21)22-2/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYNNKPMVMHQFMHL-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 18870146
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate (CID 75532248) is methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate is COC(=O)Nc1cccc(OCC(=O)NC2CCC(C)CC2)c1.
What is the InChIKey of methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate?
The InChIKey is YNNKPMVMHQFMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-6-8-13(9-7-12)18-16(20)11-23-15-5-3-4-14(10-15)19-17(21)22-2/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate?
methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 75532248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).