N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide

C26H36N2O4 — CID 60585163

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCC(Oc3cc(C)ccc3C)CC2)cc1OC
InChIInChI=1S/C26H36N2O4/c1-18-6-7-19(2)24(16-18)32-22-11-14-28(15-12-22)20(3)26(29)27-13-10-21-8-9-23(30-4)25(17-21)31-5/h6-9,16-17,20,22H,10-15H2,1-5H3,(H,27,29)
InChIKeyPLWGBSKPKHRIMX-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.91
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide (PubChem CID 60585163) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
PubChem CID60585163
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N2CCC(Oc3cc(C)ccc3C)CC2)cc1OC
InChIInChI=1S/C26H36N2O4/c1-18-6-7-19(2)24(16-18)32-22-11-14-28(15-12-22)20(3)26(29)27-13-10-21-8-9-23(30-4)25(17-21)31-5/h6-9,16-17,20,22H,10-15H2,1-5H3,(H,27,29)
InChIKeyPLWGBSKPKHRIMX-UHFFFAOYSA-N
XLogP3.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 95773972
propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate
CID 130323714
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
CID 16722816
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 124844088
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide (CID 60585163) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide is COc1ccc(CCNC(=O)C(C)N2CCC(Oc3cc(C)ccc3C)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
The InChIKey is PLWGBSKPKHRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-18-6-7-19(2)24(16-18)32-22-11-14-28(15-12-22)20(3)26(29)27-13-10-21-8-9-23(30-4)25(17-21)31-5/h6-9,16-17,20,22H,10-15H2,1-5H3,(H,27,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide has a molecular weight of 440.58 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 60585163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).