N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide

C14H23N3O — CID 54869876

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-15-11-14(18)17(10-9-16(2)3)12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChIKeyNPMXZECXGOXEID-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.80
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide

N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide (PubChem CID 54869876) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
PubChem CID54869876
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-15-11-14(18)17(10-9-16(2)3)12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChIKeyNPMXZECXGOXEID-UHFFFAOYSA-N
XLogP0.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 120705145
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705142
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
CID 119783026
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide (CID 54869876) is N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide is CNCC(=O)N(CCN(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
The InChIKey is NPMXZECXGOXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15-11-14(18)17(10-9-16(2)3)12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide has a molecular weight of 249.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 54869876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).