N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide

C10H18N2O3 — CID 112704350

IUPACN-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide
SMILESCCN(CC)C(=O)CNC(=O)CC(C)=O
InChIInChI=1S/C10H18N2O3/c1-4-12(5-2)10(15)7-11-9(14)6-8(3)13/h4-7H2,1-3H3,(H,11,14)
InChIKeyBRCGCQSGVAOEPM-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.05
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide

N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide (PubChem CID 112704350) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide
PubChem CID112704350
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide
SMILESCCN(CC)C(=O)CNC(=O)CC(C)=O
InChIInChI=1S/C10H18N2O3/c1-4-12(5-2)10(15)7-11-9(14)6-8(3)13/h4-7H2,1-3H3,(H,11,14)
InChIKeyBRCGCQSGVAOEPM-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
4-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methylpentanamide
CID 112701724
2-[ethyl-[2-(propanoylamino)acetyl]amino]acetic acid
CID 115730705
2-amino-N-[2-[ethyl(2-methylbutyl)amino]-2-oxoethyl]acetamide
CID 79470304
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
2-amino-N-[2-[cyclobutylmethyl(ethyl)amino]-2-oxoethyl]acetamide
CID 107398419
2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648
ethyl 2-[(3-oxobutanoylamino)methyl]prop-2-enoate
CID 141340682
2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
CID 112703701
2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923743

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide (CID 112704350) is N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide is CCN(CC)C(=O)CNC(=O)CC(C)=O.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide?
The InChIKey is BRCGCQSGVAOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-12(5-2)10(15)7-11-9(14)6-8(3)13/h4-7H2,1-3H3,(H,11,14).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide?
N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide has a molecular weight of 214.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-3-oxobutanamide is sourced from PubChem (CID 112704350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).