2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide

C13H25N3O2 — CID 113225823

IUPAC2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCC(=O)N(CC)CC
InChIInChI=1S/C13H25N3O2/c1-5-9-15-13(18)11(4)14-10-8-12(17)16(6-2)7-3/h5,11,14H,1,6-10H2,2-4H3,(H,15,18)
InChIKeyDKJXNWSPPMJRHY-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.53
Rot. Bonds9

About 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide

2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide (PubChem CID 113225823) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
PubChem CID113225823
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCC(=O)N(CC)CC
InChIInChI=1S/C13H25N3O2/c1-5-9-15-13(18)11(4)14-10-8-12(17)16(6-2)7-3/h5,11,14H,1,6-10H2,2-4H3,(H,15,18)
InChIKeyDKJXNWSPPMJRHY-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
CID 43087344
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
CID 60811246
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436
2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
CID 82110412
N,N-diethyl-3-(1-methoxypropan-2-ylamino)propanamide
CID 62537003
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
CID 107865308

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide (CID 113225823) is 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCCC(=O)N(CC)CC.
What is the InChIKey of 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide?
The InChIKey is DKJXNWSPPMJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-9-15-13(18)11(4)14-10-8-12(17)16(6-2)7-3/h5,11,14H,1,6-10H2,2-4H3,(H,15,18).
What are the key properties of 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide?
2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113225823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).