N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide

C15H22N2O2 — CID 54876796

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-13(18)11-15(19)17(10-9-16(2)3)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3
InChIKeySHMNJXCVZIPENQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.56
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide (PubChem CID 54876796) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
PubChem CID54876796
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)N(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-13(18)11-15(19)17(10-9-16(2)3)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3
InChIKeySHMNJXCVZIPENQ-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide (CID 54876796) is N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide is CC(=O)CC(=O)N(CCN(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide?
The InChIKey is SHMNJXCVZIPENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13(18)11-15(19)17(10-9-16(2)3)12-14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide has a molecular weight of 262.35 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide is sourced from PubChem (CID 54876796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).