carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide

C10H20N2O4 — CID 22402579

IUPACcarbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)C.O=C(O)O
InChIInChI=1S/C9H18N2O.CH2O3/c1-8(2)9(12)10-6-5-7-11(3)4;2-1(3)4/h1,5-7H2,2-4H3,(H,10,12);(H2,2,3,4)
InChIKeyVZOWADCRJNNQIL-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.85
Rot. Bonds5

About carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide

carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide (PubChem CID 22402579) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Namecarbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
PubChem CID22402579
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namecarbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)C.O=C(O)O
InChIInChI=1S/C9H18N2O.CH2O3/c1-8(2)9(12)10-6-5-7-11(3)4;2-1(3)4/h1,5-7H2,2-4H3,(H,10,12);(H2,2,3,4)
InChIKeyVZOWADCRJNNQIL-UHFFFAOYSA-N
XLogP0.85
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 6453666
Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((2-methyl-1-oxo-2-propen-1-yl)amino)-, acetate (1:1)
CID 172680
2-Propenamide, N-[3-(diethylamino)propyl]-2-methyl-
CID 11651323
2-Carboxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 12851418
Ethenol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87126587
Methacrylamidopropylmethylammonium chloride
CID 129675389
N-(N,N-dicarboxymethylaminopropyl)methacrylamide
CID 129856324
Prop-2-enamide;prop-2-enoic acid;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 157964405

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide?
The IUPAC name of carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide (CID 22402579) is carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide?
The canonical SMILES for carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCN(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide?
The InChIKey is VZOWADCRJNNQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.CH2O3/c1-8(2)9(12)10-6-5-7-11(3)4;2-1(3)4/h1,5-7H2,2-4H3,(H,10,12);(H2,2,3,4).
What are the key properties of carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide?
carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide has a molecular weight of 232.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 22402579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).