N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide

C24H39NO3 — CID 19221706

IUPACN-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCCCCCCCCCC2)cc1OC
InChIInChI=1S/C24H39NO3/c1-3-28-22-17-15-20(19-23(22)27-2)16-18-24(26)25-21-13-11-9-7-5-4-6-8-10-12-14-21/h15,17,19,21H,3-14,16,18H2,1-2H3,(H,25,26)
InChIKeyBOPYLXWOYITEHZ-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.82
Rot. Bonds7

About N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide

N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 19221706) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID19221706
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC NameN-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCCCCCCCCCC2)cc1OC
InChIInChI=1S/C24H39NO3/c1-3-28-22-17-15-20(19-23(22)27-2)16-18-24(26)25-21-13-11-9-7-5-4-6-8-10-12-14-21/h15,17,19,21H,3-14,16,18H2,1-2H3,(H,25,26)
InChIKeyBOPYLXWOYITEHZ-UHFFFAOYSA-N
XLogP5.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
CID 108556522
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide (CID 19221706) is N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NC2CCCCCCCCCCC2)cc1OC.
What is the InChIKey of N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is BOPYLXWOYITEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-3-28-22-17-15-20(19-23(22)27-2)16-18-24(26)25-21-13-11-9-7-5-4-6-8-10-12-14-21/h15,17,19,21H,3-14,16,18H2,1-2H3,(H,25,26).
What are the key properties of N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide?
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 389.58 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 19221706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).