N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride

C20H26ClN3O4 — CID 119265923

IUPACN-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCN.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-3-26-17-13-16(23-20(25)14-8-6-5-7-9-14)18(27-4-2)12-15(17)22-19(24)10-11-21;/h5-9,12-13H,3-4,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyFSDLXBIDHKPQOF-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.45
Rot. Bonds9

About N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride

N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride (PubChem CID 119265923) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
PubChem CID119265923
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC NameN-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCN.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-3-26-17-13-16(23-20(25)14-8-6-5-7-9-14)18(27-4-2)12-15(17)22-19(24)10-11-21;/h5-9,12-13H,3-4,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyFSDLXBIDHKPQOF-UHFFFAOYSA-N
XLogP3.45
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
The IUPAC name of N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride (CID 119265923) is N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCN.Cl.
What is the InChIKey of N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
The InChIKey is FSDLXBIDHKPQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c1-3-26-17-13-16(23-20(25)14-8-6-5-7-9-14)18(27-4-2)12-15(17)22-19(24)10-11-21;/h5-9,12-13H,3-4,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride is sourced from PubChem (CID 119265923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).