N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide

C22H34N2O4 — CID 108558860

IUPACN-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C22H34N2O4/c1-6-28-18-9-7-16(15-19(18)27-5)8-10-20(25)24-13-11-17(12-14-24)23-21(26)22(2,3)4/h7,9,15,17H,6,8,10-14H2,1-5H3,(H,23,26)
InChIKeyHSBALWFFKWZXKH-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.18
Rot. Bonds7

About N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 108558860) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID108558860
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C22H34N2O4/c1-6-28-18-9-7-16(15-19(18)27-5)8-10-20(25)24-13-11-17(12-14-24)23-21(26)22(2,3)4/h7,9,15,17H,6,8,10-14H2,1-5H3,(H,23,26)
InChIKeyHSBALWFFKWZXKH-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108566557
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566561
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 108549384
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821944
N-[[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932804
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
CID 108534071
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-3-methylbutanamide
CID 108549572
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 108558860) is N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide is CCOc1ccc(CCC(=O)N2CCC(NC(=O)C(C)(C)C)CC2)cc1OC.
What is the InChIKey of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HSBALWFFKWZXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-28-18-9-7-16(15-19(18)27-5)8-10-20(25)24-13-11-17(12-14-24)23-21(26)22(2,3)4/h7,9,15,17H,6,8,10-14H2,1-5H3,(H,23,26).
What are the key properties of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 390.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 108558860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).