4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride

C18H33Cl2N3O — CID 120565080

IUPAC4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)CCC(C)N.Cl.Cl
InChIInChI=1S/C18H31N3O.2ClH/c1-4-20(5-2)13-14-21(18(22)12-11-16(3)19)15-17-9-7-6-8-10-17;;/h6-10,16H,4-5,11-15,19H2,1-3H3;2*1H
InChIKeyPVSDEWFXDWMBTG-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.33
Rot. Bonds10

About 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride

4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride (PubChem CID 120565080) has the molecular formula C18H33Cl2N3O and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
PubChem CID120565080
Molecular FormulaC18H33Cl2N3O
Molecular Weight378.39 g/mol
Exact Mass377.20
IUPAC Name4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
SMILESCCN(CC)CCN(Cc1ccccc1)C(=O)CCC(C)N.Cl.Cl
InChIInChI=1S/C18H31N3O.2ClH/c1-4-20(5-2)13-14-21(18(22)12-11-16(3)19)15-17-9-7-6-8-10-17;;/h6-10,16H,4-5,11-15,19H2,1-3H3;2*1H
InChIKeyPVSDEWFXDWMBTG-UHFFFAOYSA-N
XLogP3.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
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3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
5-amino-N-benzyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 82011728
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
2-[[(3R)-3-aminobutyl]-benzylamino]acetic acid
CID 156632767
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
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N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride (CID 120565080) is 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride is CCN(CC)CCN(Cc1ccccc1)C(=O)CCC(C)N.Cl.Cl.
What is the InChIKey of 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride?
The InChIKey is PVSDEWFXDWMBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.2ClH/c1-4-20(5-2)13-14-21(18(22)12-11-16(3)19)15-17-9-7-6-8-10-17;;/h6-10,16H,4-5,11-15,19H2,1-3H3;2*1H.
What are the key properties of 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride?
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride has a molecular weight of 378.39 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).