2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide

C17H25N3O3 — CID 112992729

IUPAC2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-23-15-10-6-5-7-13(15)11-18-16(21)12-19-17(22)20-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyZMXXBZQLNZTGRA-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.94
Rot. Bonds6

About 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide

2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 112992729) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID112992729
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-23-15-10-6-5-7-13(15)11-18-16(21)12-19-17(22)20-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyZMXXBZQLNZTGRA-UHFFFAOYSA-N
XLogP1.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
1-cyclododecyl-3-[(2-ethylphenoxy)methyl]urea
CID 108893285
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide (CID 112992729) is 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is ZMXXBZQLNZTGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-10-6-5-7-13(15)11-18-16(21)12-19-17(22)20-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 112992729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).