N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

C19H28N2O4 — CID 3901143

IUPACN-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-24-16-9-8-14(12-17(16)25-2)10-11-20-18(22)13-21-19(23)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVNIKCBAESXGEAZ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.06
Rot. Bonds8

About N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 3901143) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID3901143
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-24-16-9-8-14(12-17(16)25-2)10-11-20-18(22)13-21-19(23)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVNIKCBAESXGEAZ-UHFFFAOYSA-N
XLogP2.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
N-[2-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111589515
3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 39899444
N-cyclohexyl-2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111214677
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495
(3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305809
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 3901143) is N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide is COc1ccc(CCNC(=O)CNC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is VNIKCBAESXGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-16-9-8-14(12-17(16)25-2)10-11-20-18(22)13-21-19(23)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3901143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).