3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide

C15H29N3O2 — CID 139592629

IUPAC3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide
SMILESC=CC(=O)N(CCC(=O)NC(C)C)CCN(CC)CC
InChIInChI=1S/C15H29N3O2/c1-6-15(20)18(12-11-17(7-2)8-3)10-9-14(19)16-13(4)5/h6,13H,1,7-12H2,2-5H3,(H,16,19)
InChIKeyHXDKTGAVWWOWAQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.26
Rot. Bonds10

About 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide

3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide (PubChem CID 139592629) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide
PubChem CID139592629
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide
SMILESC=CC(=O)N(CCC(=O)NC(C)C)CCN(CC)CC
InChIInChI=1S/C15H29N3O2/c1-6-15(20)18(12-11-17(7-2)8-3)10-9-14(19)16-13(4)5/h6,13H,1,7-12H2,2-5H3,(H,16,19)
InChIKeyHXDKTGAVWWOWAQ-UHFFFAOYSA-N
XLogP1.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
Poly(carboxybetaine acrylamide)
CID 12851415
N-propan-2-ylprop-2-enamide;prop-2-enamide
CID 10375130
(2-Acrylamidopropyl)trimethylammonium chloride
CID 11820325
N,N'-propylenebisacrylamide
CID 14877244
N-(2-propionamidoethyl)acrylamide
CID 20653723
2-Dimethylaminopropyl acrylamide
CID 21707846
N-methyl-N-[3-(methylamino)propyl]prop-2-enamide
CID 22239202
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide (CID 139592629) is 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide is C=CC(=O)N(CCC(=O)NC(C)C)CCN(CC)CC.
What is the InChIKey of 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide?
The InChIKey is HXDKTGAVWWOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-15(20)18(12-11-17(7-2)8-3)10-9-14(19)16-13(4)5/h6,13H,1,7-12H2,2-5H3,(H,16,19).
What are the key properties of 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide?
3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide has a molecular weight of 283.42 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-prop-2-enoylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 139592629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).