4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride

C14H22ClN3O2 — CID 120562616

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(CC(N)=O)Cc1ccccc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(15)7-8-14(19)17(10-13(16)18)9-12-5-3-2-4-6-12;/h2-6,11H,7-10,15H2,1H3,(H2,16,18);1H
InChIKeyMNCTVJGUXDEBFH-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.05
Rot. Bonds7

About 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride

4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride (PubChem CID 120562616) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
PubChem CID120562616
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(CC(N)=O)Cc1ccccc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(15)7-8-14(19)17(10-13(16)18)9-12-5-3-2-4-6-12;/h2-6,11H,7-10,15H2,1H3,(H2,16,18);1H
InChIKeyMNCTVJGUXDEBFH-UHFFFAOYSA-N
XLogP1.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080
N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
CID 119783026
2-amino-5-(dibenzylamino)-5-oxopentanoic acid
CID 69304908
N',N'-dibenzylbutanediamide
CID 101024490
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
CID 120562594
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride (CID 120562616) is 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride is CC(N)CCC(=O)N(CC(N)=O)Cc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride?
The InChIKey is MNCTVJGUXDEBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-11(15)7-8-14(19)17(10-13(16)18)9-12-5-3-2-4-6-12;/h2-6,11H,7-10,15H2,1H3,(H2,16,18);1H.
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride?
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride is sourced from PubChem (CID 120562616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).