N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

C23H31NO4 — CID 132658160

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1ccc(CCCNC(=O)C(C)Oc2cc(C)cc(C)c2C)cc1OC
InChIInChI=1S/C23H31NO4/c1-15-12-16(2)17(3)21(13-15)28-18(4)23(25)24-11-7-8-19-9-10-20(26-5)22(14-19)27-6/h9-10,12-14,18H,7-8,11H2,1-6H3,(H,24,25)
InChIKeyMVJZUQPUTBVUDT-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.15
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 132658160) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID132658160
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1ccc(CCCNC(=O)C(C)Oc2cc(C)cc(C)c2C)cc1OC
InChIInChI=1S/C23H31NO4/c1-15-12-16(2)17(3)21(13-15)28-18(4)23(25)24-11-7-8-19-9-10-20(26-5)22(14-19)27-6/h9-10,12-14,18H,7-8,11H2,1-6H3,(H,24,25)
InChIKeyMVJZUQPUTBVUDT-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43907336
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 99647029
(2R)-2-(4-bromophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 95091668
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
(2R)-2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2164093
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 132658160) is N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is COc1ccc(CCCNC(=O)C(C)Oc2cc(C)cc(C)c2C)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is MVJZUQPUTBVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-15-12-16(2)17(3)21(13-15)28-18(4)23(25)24-11-7-8-19-9-10-20(26-5)22(14-19)27-6/h9-10,12-14,18H,7-8,11H2,1-6H3,(H,24,25).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 385.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 132658160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).