4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide

C23H31NO4 — CID 142639008

IUPAC4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCCc1ccc(OCCCCCOc2ccc(C(=O)N(C)C)cc2OC)cc1
InChIInChI=1S/C23H31NO4/c1-5-18-9-12-20(13-10-18)27-15-7-6-8-16-28-21-14-11-19(17-22(21)26-4)23(25)24(2)3/h9-14,17H,5-8,15-16H2,1-4H3
InChIKeyNBMRYSSPDFNZHQ-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.59
Rot. Bonds11

About 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide

4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 142639008) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
PubChem CID142639008
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCCc1ccc(OCCCCCOc2ccc(C(=O)N(C)C)cc2OC)cc1
InChIInChI=1S/C23H31NO4/c1-5-18-9-12-20(13-10-18)27-15-7-6-8-16-28-21-14-11-19(17-22(21)26-4)23(25)24(2)3/h9-14,17H,5-8,15-16H2,1-4H3
InChIKeyNBMRYSSPDFNZHQ-UHFFFAOYSA-N
XLogP4.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2288865
4-[5-(4-carbamimidoylphenoxy)pentoxy]-N,N-diethyl-3-methoxybenzamide
CID 15340521
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]benzamide
CID 54777257

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide (CID 142639008) is 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide is CCc1ccc(OCCCCCOc2ccc(C(=O)N(C)C)cc2OC)cc1.
What is the InChIKey of 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is NBMRYSSPDFNZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-18-9-12-20(13-10-18)27-15-7-6-8-16-28-21-14-11-19(17-22(21)26-4)23(25)24(2)3/h9-14,17H,5-8,15-16H2,1-4H3.
What are the key properties of 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide?
4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 385.50 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 142639008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).