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

C22H30ClN3O4 — CID 119265926

IUPACN-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC.Cl
InChIInChI=1S/C22H29N3O4.ClH/c1-4-10-16(23)22(27)25-18-14-19(28-5-2)17(13-20(18)29-6-3)24-21(26)15-11-8-7-9-12-15;/h7-9,11-14,16H,4-6,10,23H2,1-3H3,(H,24,26)(H,25,27);1H
InChIKeyWCAWOONQSJXXEX-UHFFFAOYSA-N
MW435.95 g/mol
LogP4.22
Rot. Bonds10

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

N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride (PubChem CID 119265926) has the molecular formula C22H30ClN3O4 and a molecular weight of 435.95 g/mol. Its IUPAC name is N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
PubChem CID119265926
Molecular FormulaC22H30ClN3O4
Molecular Weight435.95 g/mol
Exact Mass435.19
IUPAC NameN-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC.Cl
InChIInChI=1S/C22H29N3O4.ClH/c1-4-10-16(23)22(27)25-18-14-19(28-5-2)17(13-20(18)29-6-3)24-21(26)15-11-8-7-9-12-15;/h7-9,11-14,16H,4-6,10,23H2,1-3H3,(H,24,26)(H,25,27);1H
InChIKeyWCAWOONQSJXXEX-UHFFFAOYSA-N
XLogP4.22
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119340157
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
The IUPAC name of N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride (CID 119265926) is N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride is CCCC(N)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC.Cl.
What is the InChIKey of N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
The InChIKey is WCAWOONQSJXXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4.ClH/c1-4-10-16(23)22(27)25-18-14-19(28-5-2)17(13-20(18)29-6-3)24-21(26)15-11-8-7-9-12-15;/h7-9,11-14,16H,4-6,10,23H2,1-3H3,(H,24,26)(H,25,27);1H.
What are the key properties of N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride?
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride has a molecular weight of 435.95 g/mol, XLogP of 4.22, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride is sourced from PubChem (CID 119265926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).