N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride

C12H18ClN3O2 — CID 119783026

IUPACN-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(CC(N)=O)Cc1ccccc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-14-7-12(17)15(9-11(13)16)8-10-5-3-2-4-6-10;/h2-6,14H,7-9H2,1H3,(H2,13,16);1H
InChIKeyPXDIYGQNWDRLOQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.14
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride

N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride (PubChem CID 119783026) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
PubChem CID119783026
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(CC(N)=O)Cc1ccccc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-14-7-12(17)15(9-11(13)16)8-10-5-3-2-4-6-10;/h2-6,14H,7-9H2,1H3,(H2,13,16);1H
InChIKeyPXDIYGQNWDRLOQ-UHFFFAOYSA-N
XLogP0.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120703570
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CID 43401552
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
4-amino-N-(2-amino-2-oxoethyl)-N-benzylpentanamide;hydrochloride
CID 120562616
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
2-(2-aminoethylamino)-N-[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-benzylacetamide
CID 127051217
2-(6-aminohexylamino)-N-[2-[[2-[6-aminohexyl-[2-[[2-[[2-[6-aminohexyl-[2-[[2-[[2-[6-aminohexyl-[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-benzylacetamide
CID 127050608
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 56815139
N,N-bis(2-amino-2-oxoethyl)-2-anilinoacetamide
CID 55155300
N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120705127

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride (CID 119783026) is N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride is CNCC(=O)N(CC(N)=O)Cc1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride?
The InChIKey is PXDIYGQNWDRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-14-7-12(17)15(9-11(13)16)8-10-5-3-2-4-6-10;/h2-6,14H,7-9H2,1H3,(H2,13,16);1H.
What are the key properties of N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride?
N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119783026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).