N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide

C32H40N2O5 — CID 19237102

IUPACN-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCCOc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C32H40N2O5/c1-6-32(4,5)24-16-18-25(19-17-24)39-20-12-15-30(35)33-26-21-29(38-8-3)27(22-28(26)37-7-2)34-31(36)23-13-10-9-11-14-23/h9-11,13-14,16-19,21-22H,6-8,12,15,20H2,1-5H3,(H,33,35)(H,34,36)
InChIKeyQZOCKAIHQDWQQO-UHFFFAOYSA-N
MW532.68 g/mol
LogP7.22
Rot. Bonds14

About N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide

N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide (PubChem CID 19237102) has the molecular formula C32H40N2O5 and a molecular weight of 532.68 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
PubChem CID19237102
Molecular FormulaC32H40N2O5
Molecular Weight532.68 g/mol
Exact Mass532.29
IUPAC NameN-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCCOc1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C32H40N2O5/c1-6-32(4,5)24-16-18-25(19-17-24)39-20-12-15-30(35)33-26-21-29(38-8-3)27(22-28(26)37-7-2)34-31(36)23-13-10-9-11-14-23/h9-11,13-14,16-19,21-22H,6-8,12,15,20H2,1-5H3,(H,33,35)(H,34,36)
InChIKeyQZOCKAIHQDWQQO-UHFFFAOYSA-N
XLogP7.22
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19181852
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide (CID 19237102) is N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCCOc1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide?
The InChIKey is QZOCKAIHQDWQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O5/c1-6-32(4,5)24-16-18-25(19-17-24)39-20-12-15-30(35)33-26-21-29(38-8-3)27(22-28(26)37-7-2)34-31(36)23-13-10-9-11-14-23/h9-11,13-14,16-19,21-22H,6-8,12,15,20H2,1-5H3,(H,33,35)(H,34,36).
What are the key properties of N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide?
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide has a molecular weight of 532.68 g/mol, XLogP of 7.22, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide is sourced from PubChem (CID 19237102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).