N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide

C18H26N2O3 — CID 18870146

IUPACN-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(OCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)18(22)20-15-9-6-10-16(11-15)23-12-17(21)19-14-7-4-3-5-8-14/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXPGWUDGJGFNNRT-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds6

About N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide

N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide (PubChem CID 18870146) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
PubChem CID18870146
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(OCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(2)18(22)20-15-9-6-10-16(11-15)23-12-17(21)19-14-7-4-3-5-8-14/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXPGWUDGJGFNNRT-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
methyl N-[3-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]phenyl]carbamate
CID 75532248
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
N-[3-[[2-(3-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 87016346
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide (CID 18870146) is N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(OCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide?
The InChIKey is XPGWUDGJGFNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)18(22)20-15-9-6-10-16(11-15)23-12-17(21)19-14-7-4-3-5-8-14/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide?
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 18870146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).