N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide

C20H30N2O3 — CID 113055884

IUPACN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
SMILESCOc1cccc(CCN(CCNC(=O)C2CCCCC2)C(C)=O)c1
InChIInChI=1S/C20H30N2O3/c1-16(23)22(13-11-17-7-6-10-19(15-17)25-2)14-12-21-20(24)18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3,(H,21,24)
InChIKeyOALYMNOFJKNJIY-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.78
Rot. Bonds8

About N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide

N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide (PubChem CID 113055884) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
PubChem CID113055884
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
SMILESCOc1cccc(CCN(CCNC(=O)C2CCCCC2)C(C)=O)c1
InChIInChI=1S/C20H30N2O3/c1-16(23)22(13-11-17-7-6-10-19(15-17)25-2)14-12-21-20(24)18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3,(H,21,24)
InChIKeyOALYMNOFJKNJIY-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113055933
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide (CID 113055884) is N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide is COc1cccc(CCN(CCNC(=O)C2CCCCC2)C(C)=O)c1.
What is the InChIKey of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is OALYMNOFJKNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(23)22(13-11-17-7-6-10-19(15-17)25-2)14-12-21-20(24)18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113055884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).