N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide

C14H19N3O3 — CID 80597472

IUPACN-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
SMILESCCOc1cccc(NC(=O)C2(/C(N)=N/O)CCC2)c1
InChIInChI=1S/C14H19N3O3/c1-2-20-11-6-3-5-10(9-11)16-13(18)14(7-4-8-14)12(15)17-19/h3,5-6,9,19H,2,4,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyWFNCIUTVTCYAEQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.94
Rot. Bonds5

About N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide

N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide (PubChem CID 80597472) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
PubChem CID80597472
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
SMILESCCOc1cccc(NC(=O)C2(/C(N)=N/O)CCC2)c1
InChIInChI=1S/C14H19N3O3/c1-2-20-11-6-3-5-10(9-11)16-13(18)14(7-4-8-14)12(15)17-19/h3,5-6,9,19H,2,4,7-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyWFNCIUTVTCYAEQ-UHFFFAOYSA-N
XLogP1.94
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
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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Related Compounds

N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80597546
N-(3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591517
1-(N'-hydroxycarbamimidoyl)-N-[3-(methoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 76921301
1-[(E)-N'-hydroxycarbamimidoyl]-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 80590918
N-(2-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591274
N-(3,4-difluorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80590768
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 80597303
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
N-(3-chloro-4-methoxyphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919300
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
4-(N'-hydroxycarbamimidoyl)-N-(3-iodophenyl)oxane-4-carboxamide
CID 76920427

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide (CID 80597472) is N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide is CCOc1cccc(NC(=O)C2(/C(N)=N/O)CCC2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide?
The InChIKey is WFNCIUTVTCYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-11-6-3-5-10(9-11)16-13(18)14(7-4-8-14)12(15)17-19/h3,5-6,9,19H,2,4,7-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide?
N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80597472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).