1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C22H28N4O3 — CID 6487888

IUPAC1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)NC1(C(=O)NCc2cccnc2)CCCCC1
InChIInChI=1S/C22H28N4O3/c1-2-29-19-11-5-4-10-18(19)25-21(28)26-22(12-6-3-7-13-22)20(27)24-16-17-9-8-14-23-15-17/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyMEKJVEPWFDRWFT-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.62
Rot. Bonds7

About 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 6487888) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID6487888
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)NC1(C(=O)NCc2cccnc2)CCCCC1
InChIInChI=1S/C22H28N4O3/c1-2-29-19-11-5-4-10-18(19)25-21(28)26-22(12-6-3-7-13-22)20(27)24-16-17-9-8-14-23-15-17/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,24,27)(H2,25,26,28)
InChIKeyMEKJVEPWFDRWFT-UHFFFAOYSA-N
XLogP3.62
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide
CID 74249427
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166619185
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 6487888) is 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is CCOc1ccccc1NC(=O)NC1(C(=O)NCc2cccnc2)CCCCC1.
What is the InChIKey of 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is MEKJVEPWFDRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-29-19-11-5-4-10-18(19)25-21(28)26-22(12-6-3-7-13-22)20(27)24-16-17-9-8-14-23-15-17/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,24,27)(H2,25,26,28).
What are the key properties of 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 6487888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).