N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide

C20H30N2O4 — CID 5193847

IUPACN'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-25-17-9-8-15(14-18(17)26-2)12-13-21-19(23)10-11-20(24)22-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRBLNMKYMZYCJBS-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.59
Rot. Bonds9

About N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide

N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide (PubChem CID 5193847) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
PubChem CID5193847
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C20H30N2O4/c1-25-17-9-8-15(14-18(17)26-2)12-13-21-19(23)10-11-20(24)22-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRBLNMKYMZYCJBS-UHFFFAOYSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
The IUPAC name of N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide (CID 5193847) is N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide.
What is the SMILES notation for N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
The canonical SMILES for N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide is COc1ccc(CCNC(=O)CCC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
The InChIKey is RBLNMKYMZYCJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-25-17-9-8-15(14-18(17)26-2)12-13-21-19(23)10-11-20(24)22-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide?
N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide has a molecular weight of 362.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide is sourced from PubChem (CID 5193847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).