1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide

C18H26N2O4 — CID 78881239

IUPAC1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCCOc1ccc(OCC(=O)NC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-12-23-14-6-8-15(9-7-14)24-13-16(21)20-18(17(19)22)10-4-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H2,19,22)(H,20,21)
InChIKeyGZUFFZZCZYFCOJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.16
Rot. Bonds8

About 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide

1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 78881239) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID78881239
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCCOc1ccc(OCC(=O)NC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-12-23-14-6-8-15(9-7-14)24-13-16(21)20-18(17(19)22)10-4-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H2,19,22)(H,20,21)
InChIKeyGZUFFZZCZYFCOJ-UHFFFAOYSA-N
XLogP2.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
CID 56807568
N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915
2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide
CID 64688246
N-[2-(aminomethyl)cyclohexyl]-2-(4-propoxyphenoxy)acetamide
CID 119609351
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
CID 97087003

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide (CID 78881239) is 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide is CCCOc1ccc(OCC(=O)NC2(C(N)=O)CCCCC2)cc1.
What is the InChIKey of 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is GZUFFZZCZYFCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-12-23-14-6-8-15(9-7-14)24-13-16(21)20-18(17(19)22)10-4-3-5-11-18/h6-9H,2-5,10-13H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide?
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 78881239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).