N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide

C13H17N3O3 — CID 142438618

IUPACN-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
SMILESCON(Cc1ccc(/C(N)=N/O)cc1)C(=O)C1CC1
InChIInChI=1S/C13H17N3O3/c1-19-16(13(17)11-6-7-11)8-9-2-4-10(5-3-9)12(14)15-18/h2-5,11,18H,6-8H2,1H3,(H2,14,15)
InChIKeySPRVPUIJVBYKFT-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds5

About N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide

N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide (PubChem CID 142438618) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
PubChem CID142438618
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
SMILESCON(Cc1ccc(/C(N)=N/O)cc1)C(=O)C1CC1
InChIInChI=1S/C13H17N3O3/c1-19-16(13(17)11-6-7-11)8-9-2-4-10(5-3-9)12(14)15-18/h2-5,11,18H,6-8H2,1H3,(H2,14,15)
InChIKeySPRVPUIJVBYKFT-UHFFFAOYSA-N
XLogP1.08
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
The IUPAC name of N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide (CID 142438618) is N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
The canonical SMILES for N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide is CON(Cc1ccc(/C(N)=N/O)cc1)C(=O)C1CC1.
What is the InChIKey of N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
The InChIKey is SPRVPUIJVBYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-16(13(17)11-6-7-11)8-9-2-4-10(5-3-9)12(14)15-18/h2-5,11,18H,6-8H2,1H3,(H2,14,15).
What are the key properties of N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide?
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide is sourced from PubChem (CID 142438618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).