N-acetyl-2,3-bis(dimethylamino)prop-2-enamide

C9H17N3O2 — CID 176548506

IUPACN-acetyl-2,3-bis(dimethylamino)prop-2-enamide
SMILESCC(=O)NC(=O)C(=CN(C)C)N(C)C
InChIInChI=1S/C9H17N3O2/c1-7(13)10-9(14)8(12(4)5)6-11(2)3/h6H,1-5H3,(H,10,13,14)
InChIKeyJGQHBTJOQHXZCY-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.39
Rot. Bonds3

About N-acetyl-2,3-bis(dimethylamino)prop-2-enamide

N-acetyl-2,3-bis(dimethylamino)prop-2-enamide (PubChem CID 176548506) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-acetyl-2,3-bis(dimethylamino)prop-2-enamide.

Molecular Properties

Compound NameN-acetyl-2,3-bis(dimethylamino)prop-2-enamide
PubChem CID176548506
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-acetyl-2,3-bis(dimethylamino)prop-2-enamide
SMILESCC(=O)NC(=O)C(=CN(C)C)N(C)C
InChIInChI=1S/C9H17N3O2/c1-7(13)10-9(14)8(12(4)5)6-11(2)3/h6H,1-5H3,(H,10,13,14)
InChIKeyJGQHBTJOQHXZCY-UHFFFAOYSA-N
XLogP-0.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-propylprop-2-enamide
CID 76329580
N-tert-butyl-1,2,3,4-tetrahydropyrazine-5-carboxamide
CID 10313403
Dimethylaminomaleinimide
CID 129789350
2-Acetamido-N,N-diethylprop-2-enamide
CID 45119415
2-Acetamido-N,N-dimethylprop-2-enamide
CID 71361752
1,4-Diacetyl-1,4,5,6-tetrahydropyrazine-2-carboxylic acid tert-butylamide
CID 11021867
1-Acetyl-1,4,5,6-tetrahydropyrazine-2-carboxylic acid tert-butylamide
CID 15508343
4-acetyl-2,3-dihydro-1H-pyrazine-5-carboxamide
CID 18688654
N-ethyl-2-(methylamino)-N-propan-2-ylprop-2-enamide
CID 20215342
N-butyl-2-(diethylamino)prop-2-enamide
CID 20281321

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,3-bis(dimethylamino)prop-2-enamide?
The IUPAC name of N-acetyl-2,3-bis(dimethylamino)prop-2-enamide (CID 176548506) is N-acetyl-2,3-bis(dimethylamino)prop-2-enamide.
What is the SMILES notation for N-acetyl-2,3-bis(dimethylamino)prop-2-enamide?
The canonical SMILES for N-acetyl-2,3-bis(dimethylamino)prop-2-enamide is CC(=O)NC(=O)C(=CN(C)C)N(C)C.
What is the InChIKey of N-acetyl-2,3-bis(dimethylamino)prop-2-enamide?
The InChIKey is JGQHBTJOQHXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)10-9(14)8(12(4)5)6-11(2)3/h6H,1-5H3,(H,10,13,14).
What are the key properties of N-acetyl-2,3-bis(dimethylamino)prop-2-enamide?
N-acetyl-2,3-bis(dimethylamino)prop-2-enamide has a molecular weight of 199.25 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,3-bis(dimethylamino)prop-2-enamide is sourced from PubChem (CID 176548506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).