N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide

C11H18N2O2 — CID 87328518

IUPACN',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide
SMILESC=CCC(CC=C)(C(N)=O)C(=O)N(C)C
InChIInChI=1S/C11H18N2O2/c1-5-7-11(8-6-2,9(12)14)10(15)13(3)4/h5-6H,1-2,7-8H2,3-4H3,(H2,12,14)
InChIKeyINJPCTUDMFFVQA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds6

About N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide

N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide (PubChem CID 87328518) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide.

Molecular Properties

Compound NameN',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide
PubChem CID87328518
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide
SMILESC=CCC(CC=C)(C(N)=O)C(=O)N(C)C
InChIInChI=1S/C11H18N2O2/c1-5-7-11(8-6-2,9(12)14)10(15)13(3)4/h5-6H,1-2,7-8H2,3-4H3,(H2,12,14)
InChIKeyINJPCTUDMFFVQA-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetramethyl-2,2-bis(prop-2-enyl)propanediamide
CID 87328537
2,2-diethyl-N,N,N',N'-tetramethylpropanediamide
CID 551840
3-(2-bromoprop-2-enyl)-3-prop-2-enylpentane-2,4-dione
CID 14140204
2,2-dimethylpent-4-enamide;methoxyethene
CID 174849158
2-formamido-2-methylpent-4-enamide
CID 86010782
(2R)-2-amino-2-(sulfanylmethyl)pent-4-enamide
CID 87585546
diethyl 2-(diethylaminomethyl)-2-prop-2-enylpropanedioate chloride
CID 21204581
bis(2-methylpropyl) 2-prop-2-enyl-2-propylpropanedioate
CID 171777573
N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide
CID 143356505
2,3-dihydroxy-2-prop-2-enylbutanediamide
CID 140977246
tetramethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 11349994
but-1-ene;urea
CID 87757370

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide?
The IUPAC name of N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide (CID 87328518) is N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide.
What is the SMILES notation for N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide?
The canonical SMILES for N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide is C=CCC(CC=C)(C(N)=O)C(=O)N(C)C.
What is the InChIKey of N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide?
The InChIKey is INJPCTUDMFFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-7-11(8-6-2,9(12)14)10(15)13(3)4/h5-6H,1-2,7-8H2,3-4H3,(H2,12,14).
What are the key properties of N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide?
N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide has a molecular weight of 210.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2,2-bis(prop-2-enyl)propanediamide is sourced from PubChem (CID 87328518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).