ethane;N-prop-2-enyl-N-propylprop-2-enamide

C11H21NO — CID 143794226

IUPACethane;N-prop-2-enyl-N-propylprop-2-enamide
SMILESC=CCN(CCC)C(=O)C=C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-7-10(8-5-2)9(11)6-3;1-2/h4,6H,1,3,5,7-8H2,2H3;1-2H3
InChIKeyUTWWGYCOLDOEIC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.62
Rot. Bonds5

About ethane;N-prop-2-enyl-N-propylprop-2-enamide

ethane;N-prop-2-enyl-N-propylprop-2-enamide (PubChem CID 143794226) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;N-prop-2-enyl-N-propylprop-2-enamide.

Molecular Properties

Compound Nameethane;N-prop-2-enyl-N-propylprop-2-enamide
PubChem CID143794226
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;N-prop-2-enyl-N-propylprop-2-enamide
SMILESC=CCN(CCC)C(=O)C=C.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-7-10(8-5-2)9(11)6-3;1-2/h4,6H,1,3,5,7-8H2,2H3;1-2H3
InChIKeyUTWWGYCOLDOEIC-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
N-[2-(oxiran-2-yl)ethyl]-N-prop-2-enylprop-2-enamide
CID 88654004
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851
N-prop-2-enyl-N-propylpiperidine-1-carboxamide
CID 116657075
N-(3-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 173377477
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-2-enyl-N-propylprop-2-enamide?
The IUPAC name of ethane;N-prop-2-enyl-N-propylprop-2-enamide (CID 143794226) is ethane;N-prop-2-enyl-N-propylprop-2-enamide.
What is the SMILES notation for ethane;N-prop-2-enyl-N-propylprop-2-enamide?
The canonical SMILES for ethane;N-prop-2-enyl-N-propylprop-2-enamide is C=CCN(CCC)C(=O)C=C.CC.
What is the InChIKey of ethane;N-prop-2-enyl-N-propylprop-2-enamide?
The InChIKey is UTWWGYCOLDOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-4-7-10(8-5-2)9(11)6-3;1-2/h4,6H,1,3,5,7-8H2,2H3;1-2H3.
What are the key properties of ethane;N-prop-2-enyl-N-propylprop-2-enamide?
ethane;N-prop-2-enyl-N-propylprop-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-2-enyl-N-propylprop-2-enamide is sourced from PubChem (CID 143794226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).