2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide

C15H22N4O4 — CID 139534058

IUPAC2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=C(CC(=C)C(N)=O)C(N)=O.C=CC(=O)NCCNC(=O)C=C
InChIInChI=1S/C8H12N2O2.C7H10N2O2/c1-3-7(11)9-5-6-10-8(12)4-2;1-4(6(8)10)3-5(2)7(9)11/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12);1-3H2,(H2,8,10)(H2,9,11)
InChIKeyLVBNYASCSCXYCD-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.95
Rot. Bonds9

About 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide

2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide (PubChem CID 139534058) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
PubChem CID139534058
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=C(CC(=C)C(N)=O)C(N)=O.C=CC(=O)NCCNC(=O)C=C
InChIInChI=1S/C8H12N2O2.C7H10N2O2/c1-3-7(11)9-5-6-10-8(12)4-2;1-4(6(8)10)3-5(2)7(9)11/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12);1-3H2,(H2,8,10)(H2,9,11)
InChIKeyLVBNYASCSCXYCD-UHFFFAOYSA-N
XLogP-0.95
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
4-(prop-2-enoylamino)butanamide
CID 60864661
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
4-carbamoyl-2-methylidenepent-4-enoic acid
CID 87629138
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide
CID 53437142
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
4,4-dihydroxy-2-methylidene-4-(prop-2-enoylamino)butanamide
CID 87214748
N-(4-aminobut-3-enyl)prop-2-enamide
CID 174483011
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The IUPAC name of 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide (CID 139534058) is 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The canonical SMILES for 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide is C=C(CC(=C)C(N)=O)C(N)=O.C=CC(=O)NCCNC(=O)C=C.
What is the InChIKey of 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
The InChIKey is LVBNYASCSCXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C7H10N2O2/c1-3-7(11)9-5-6-10-8(12)4-2;1-4(6(8)10)3-5(2)7(9)11/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12);1-3H2,(H2,8,10)(H2,9,11).
What are the key properties of 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide?
2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide has a molecular weight of 322.37 g/mol, XLogP of -0.95, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylidenepentanediamide;N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 139534058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).