3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide

C23H31NO3 — CID 2071769

IUPAC3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCCCCOc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1OCC
InChIInChI=1S/C23H31NO3/c1-5-7-14-27-21-12-10-19(16-22(21)26-6-2)11-13-23(25)24-20-15-17(3)8-9-18(20)4/h8-10,12,15-16H,5-7,11,13-14H2,1-4H3,(H,24,25)
InChIKeyRVECZRPWKYMXTQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.45
Rot. Bonds10

About 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide

3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 2071769) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID2071769
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCCCCOc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1OCC
InChIInChI=1S/C23H31NO3/c1-5-7-14-27-21-12-10-19(16-22(21)26-6-2)11-13-23(25)24-20-15-17(3)8-9-18(20)4/h8-10,12,15-16H,5-7,11,13-14H2,1-4H3,(H,24,25)
InChIKeyRVECZRPWKYMXTQ-UHFFFAOYSA-N
XLogP5.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butoxy-3-ethoxyphenyl)-N-(4-iodo-2-methylphenyl)propanamide
CID 2071824
methyl 3-[3-(3,4-diethoxyphenyl)propanoylamino]-4-methylbenzoate
CID 92671993
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
diethyl 5-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19236940
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
(4-chloro-3-methylphenyl) 3-(4-butoxy-3-ethoxyphenyl)propanoate
CID 2071877
N-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)propanamide
CID 2071811
ethyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19236939
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide (CID 2071769) is 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide is CCCCOc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1OCC.
What is the InChIKey of 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is RVECZRPWKYMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-5-7-14-27-21-12-10-19(16-22(21)26-6-2)11-13-23(25)24-20-15-17(3)8-9-18(20)4/h8-10,12,15-16H,5-7,11,13-14H2,1-4H3,(H,24,25).
What are the key properties of 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 369.51 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 2071769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).