N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide

C30H36N2O4 — CID 19221311

IUPACN-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C30H36N2O4/c1-6-35-26-20-25(32-29(34)22-11-9-8-10-12-22)27(36-7-2)19-24(26)31-28(33)18-15-21-13-16-23(17-14-21)30(3,4)5/h8-14,16-17,19-20H,6-7,15,18H2,1-5H3,(H,31,33)(H,32,34)
InChIKeyCQLZDFOEATWFRV-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.61
Rot. Bonds10

About N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide

N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide (PubChem CID 19221311) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
PubChem CID19221311
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC NameN-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C30H36N2O4/c1-6-35-26-20-25(32-29(34)22-11-9-8-10-12-22)27(36-7-2)19-24(26)31-28(33)18-15-21-13-16-23(17-14-21)30(3,4)5/h8-14,16-17,19-20H,6-7,15,18H2,1-5H3,(H,31,33)(H,32,34)
InChIKeyCQLZDFOEATWFRV-UHFFFAOYSA-N
XLogP6.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1441351
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide (CID 19221311) is N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is CQLZDFOEATWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-6-35-26-20-25(32-29(34)22-11-9-8-10-12-22)27(36-7-2)19-24(26)31-28(33)18-15-21-13-16-23(17-14-21)30(3,4)5/h8-14,16-17,19-20H,6-7,15,18H2,1-5H3,(H,31,33)(H,32,34).
What are the key properties of N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide?
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 488.63 g/mol, XLogP of 6.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 19221311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).