N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide

C14H17NO4 — CID 101361591

IUPACN-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide
SMILESCOCOCC/C=C/C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-18-11-19-10-6-5-9-13(16)15-14(17)12-7-3-2-4-8-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,16,17)/b9-5+
InChIKeyANWXAHQPFSGYKC-WEVVVXLNSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds7

About N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide

N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide (PubChem CID 101361591) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide
PubChem CID101361591
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide
SMILESCOCOCC/C=C/C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-18-11-19-10-6-5-9-13(16)15-14(17)12-7-3-2-4-8-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,16,17)/b9-5+
InChIKeyANWXAHQPFSGYKC-WEVVVXLNSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide?
The IUPAC name of N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide (CID 101361591) is N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide.
What is the SMILES notation for N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide?
The canonical SMILES for N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide is COCOCC/C=C/C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide?
The InChIKey is ANWXAHQPFSGYKC-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-11-19-10-6-5-9-13(16)15-14(17)12-7-3-2-4-8-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,16,17)/b9-5+.
What are the key properties of N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide?
N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide has a molecular weight of 263.29 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(methoxymethoxy)pent-2-enoyl]benzamide is sourced from PubChem (CID 101361591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).