4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride

C16H26ClN3O3 — CID 119340157

IUPAC4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-5-7-12(17)15(20)18-13-9-8-11(16(21)19(3)4)10-14(13)22-6-2;/h8-10,12H,5-7,17H2,1-4H3,(H,18,20);1H
InChIKeySJCQEMLHOHBCKG-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.27
Rot. Bonds7

About 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride

4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119340157) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
PubChem CID119340157
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC Name4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-5-7-12(17)15(20)18-13-9-8-11(16(21)19(3)4)10-14(13)22-6-2;/h8-10,12H,5-7,17H2,1-4H3,(H,18,20);1H
InChIKeySJCQEMLHOHBCKG-UHFFFAOYSA-N
XLogP2.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119812590
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
3-[[4-(dimethylcarbamoyl)-2-ethoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086227
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119816573
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride (CID 119340157) is 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC.Cl.
What is the InChIKey of 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is SJCQEMLHOHBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-5-7-12(17)15(20)18-13-9-8-11(16(21)19(3)4)10-14(13)22-6-2;/h8-10,12H,5-7,17H2,1-4H3,(H,18,20);1H.
What are the key properties of 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride?
4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119340157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).