3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide

C24H33NO3 — CID 132657824

IUPAC3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H33NO3/c1-7-20(18-11-14-21(27-5)22(16-18)28-6)25-23(26)15-10-17-8-12-19(13-9-17)24(2,3)4/h8-9,11-14,16,20H,7,10,15H2,1-6H3,(H,25,26)
InChIKeyDTPXNTQKOPXQLA-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.20
Rot. Bonds8

About 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide

3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide (PubChem CID 132657824) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
PubChem CID132657824
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H33NO3/c1-7-20(18-11-14-21(27-5)22(16-18)28-6)25-23(26)15-10-17-8-12-19(13-9-17)24(2,3)4/h8-9,11-14,16,20H,7,10,15H2,1-6H3,(H,25,26)
InChIKeyDTPXNTQKOPXQLA-UHFFFAOYSA-N
XLogP5.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392
3-(4-tert-butylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 99951707
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide (CID 132657824) is 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide is CCC(NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide?
The InChIKey is DTPXNTQKOPXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-7-20(18-11-14-21(27-5)22(16-18)28-6)25-23(26)15-10-17-8-12-19(13-9-17)24(2,3)4/h8-9,11-14,16,20H,7,10,15H2,1-6H3,(H,25,26).
What are the key properties of 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide?
3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide has a molecular weight of 383.53 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 132657824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).