N-cyclododecyl-2-(3-methylphenoxy)propanamide

C22H35NO2 — CID 3912808

IUPACN-cyclododecyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC2CCCCCCCCCCC2)c1
InChIInChI=1S/C22H35NO2/c1-18-13-12-16-21(17-18)25-19(2)22(24)23-20-14-10-8-6-4-3-5-7-9-11-15-20/h12-13,16-17,19-20H,3-11,14-15H2,1-2H3,(H,23,24)
InChIKeyKDUGBWLLGCNTAY-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.55
Rot. Bonds4

About N-cyclododecyl-2-(3-methylphenoxy)propanamide

N-cyclododecyl-2-(3-methylphenoxy)propanamide (PubChem CID 3912808) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-cyclododecyl-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclododecyl-2-(3-methylphenoxy)propanamide
PubChem CID3912808
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-cyclododecyl-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC2CCCCCCCCCCC2)c1
InChIInChI=1S/C22H35NO2/c1-18-13-12-16-21(17-18)25-19(2)22(24)23-20-14-10-8-6-4-3-5-7-9-11-15-20/h12-13,16-17,19-20H,3-11,14-15H2,1-2H3,(H,23,24)
InChIKeyKDUGBWLLGCNTAY-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17188475
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-cyclododecyl-2-(3-methylphenoxy)propanamide (CID 3912808) is N-cyclododecyl-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-cyclododecyl-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-cyclododecyl-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NC2CCCCCCCCCCC2)c1.
What is the InChIKey of N-cyclododecyl-2-(3-methylphenoxy)propanamide?
The InChIKey is KDUGBWLLGCNTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-18-13-12-16-21(17-18)25-19(2)22(24)23-20-14-10-8-6-4-3-5-7-9-11-15-20/h12-13,16-17,19-20H,3-11,14-15H2,1-2H3,(H,23,24).
What are the key properties of N-cyclododecyl-2-(3-methylphenoxy)propanamide?
N-cyclododecyl-2-(3-methylphenoxy)propanamide has a molecular weight of 345.53 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 3912808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).