4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide

C24H31NO4 — CID 55689397

IUPAC4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide
SMILESCCOCCOCc1cccc(CNC(=O)CCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C24H31NO4/c1-4-28-12-13-29-17-21-7-5-6-20(15-21)16-25-24(27)11-10-23(26)22-14-18(2)8-9-19(22)3/h5-9,14-15H,4,10-13,16-17H2,1-3H3,(H,25,27)
InChIKeyKFXQFDFERZHEDX-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.14
Rot. Bonds12

About 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide (PubChem CID 55689397) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide
PubChem CID55689397
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide
SMILESCCOCCOCc1cccc(CNC(=O)CCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C24H31NO4/c1-4-28-12-13-29-17-21-7-5-6-20(15-21)16-25-24(27)11-10-23(26)22-14-18(2)8-9-19(22)3/h5-9,14-15H,4,10-13,16-17H2,1-3H3,(H,25,27)
InChIKeyKFXQFDFERZHEDX-UHFFFAOYSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.14
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

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
N-[3-[[3-(2-ethoxyethoxymethyl)phenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 39587196
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
ethyl 4-[N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164190
4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199
1-benzyl-3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiourea
CID 18230613
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4,5-dimethyl-1H-indole-2-carboxamide
CID 86963718
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide (CID 55689397) is 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide is CCOCCOCc1cccc(CNC(=O)CCC(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide?
The InChIKey is KFXQFDFERZHEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-28-12-13-29-17-21-7-5-6-20(15-21)16-25-24(27)11-10-23(26)22-14-18(2)8-9-19(22)3/h5-9,14-15H,4,10-13,16-17H2,1-3H3,(H,25,27).
What are the key properties of 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide has a molecular weight of 397.52 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide is sourced from PubChem (CID 55689397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).