N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide

C27H28N2O4 — CID 29457055

IUPACN-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)C2(c3ccccc3)CC2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H28N2O4/c1-3-32-23-18-22(29-26(31)27(15-16-27)20-13-9-6-10-14-20)24(33-4-2)17-21(23)28-25(30)19-11-7-5-8-12-19/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,30)(H,29,31)
InChIKeySZQDOKYISWYFOP-UHFFFAOYSA-N
MW444.53 g/mol
LogP5.41
Rot. Bonds9

About N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide

N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide (PubChem CID 29457055) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
PubChem CID29457055
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)C2(c3ccccc3)CC2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C27H28N2O4/c1-3-32-23-18-22(29-26(31)27(15-16-27)20-13-9-6-10-14-20)24(33-4-2)17-21(23)28-25(30)19-11-7-5-8-12-19/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,30)(H,29,31)
InChIKeySZQDOKYISWYFOP-UHFFFAOYSA-N
XLogP5.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26210798
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-(2-ethoxy-4-fluorophenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78892545
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide (CID 29457055) is N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide is CCOc1cc(NC(=O)C2(c3ccccc3)CC2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide?
The InChIKey is SZQDOKYISWYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-3-32-23-18-22(29-26(31)27(15-16-27)20-13-9-6-10-14-20)24(33-4-2)17-21(23)28-25(30)19-11-7-5-8-12-19/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide?
N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide is sourced from PubChem (CID 29457055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).