formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide

C14H24N2O6 — CID 143718754

IUPACformic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide
SMILESCOCCCC(=O)NCCCN(C)C(=O)/C=C\C=O.O=CO
InChIInChI=1S/C13H22N2O4.CH2O2/c1-15(13(18)7-3-10-16)9-5-8-14-12(17)6-4-11-19-2;2-1-3/h3,7,10H,4-6,8-9,11H2,1-2H3,(H,14,17);1H,(H,2,3)/b7-3-;
InChIKeyCVHJCVCHABPYDW-WYLUAFJRSA-N
MW316.35 g/mol
LogP-0.17
Rot. Bonds10

About formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide

formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide (PubChem CID 143718754) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide.

Molecular Properties

Compound Nameformic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide
PubChem CID143718754
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Nameformic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide
SMILESCOCCCC(=O)NCCCN(C)C(=O)/C=C\C=O.O=CO
InChIInChI=1S/C13H22N2O4.CH2O2/c1-15(13(18)7-3-10-16)9-5-8-14-12(17)6-4-11-19-2;2-1-3/h3,7,10H,4-6,8-9,11H2,1-2H3,(H,14,17);1H,(H,2,3)/b7-3-;
InChIKeyCVHJCVCHABPYDW-WYLUAFJRSA-N
XLogP-0.17
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide?
The IUPAC name of formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide (CID 143718754) is formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide.
What is the SMILES notation for formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide?
The canonical SMILES for formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide is COCCCC(=O)NCCCN(C)C(=O)/C=C\C=O.O=CO.
What is the InChIKey of formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide?
The InChIKey is CVHJCVCHABPYDW-WYLUAFJRSA-N. The full InChI is InChI=1S/C13H22N2O4.CH2O2/c1-15(13(18)7-3-10-16)9-5-8-14-12(17)6-4-11-19-2;2-1-3/h3,7,10H,4-6,8-9,11H2,1-2H3,(H,14,17);1H,(H,2,3)/b7-3-;.
What are the key properties of formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide?
formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide has a molecular weight of 316.35 g/mol, XLogP of -0.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methoxy-N-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propyl]butanamide is sourced from PubChem (CID 143718754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).