1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide

C14H19N3O3 — CID 80597497

IUPAC1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
SMILESN/C(=N/O)C1(C(=O)NCCCOc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c15-12(17-19)14(7-8-14)13(18)16-9-4-10-20-11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H2,15,17)(H,16,18)
InChIKeyJATAWFIIARLYNW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.10
Rot. Bonds7

About 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide

1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide (PubChem CID 80597497) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
PubChem CID80597497
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide
SMILESN/C(=N/O)C1(C(=O)NCCCOc2ccccc2)CC1
InChIInChI=1S/C14H19N3O3/c15-12(17-19)14(7-8-14)13(18)16-9-4-10-20-11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H2,15,17)(H,16,18)
InChIKeyJATAWFIIARLYNW-UHFFFAOYSA-N
XLogP1.10
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 62379855
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 80593151
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-(N'-hydroxycarbamimidoyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 76920459
N'-hydroxy-2-[1-[(2-phenoxyethylamino)methyl]cyclopropyl]ethanimidamide
CID 77070663
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-phenylpropyl)cyclopropane-1-carboxamide
CID 104592116
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexyl)cyclopropane-1-carboxamide
CID 115326796
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopropane-1-carboxamide
CID 114139858
N-benzyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920758
N-(3-ethoxypropyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920265
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119684516

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide (CID 80597497) is 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide is N/C(=N/O)C1(C(=O)NCCCOc2ccccc2)CC1.
What is the InChIKey of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is JATAWFIIARLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12(17-19)14(7-8-14)13(18)16-9-4-10-20-11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2,(H2,15,17)(H,16,18).
What are the key properties of 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide?
1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-N'-hydroxycarbamimidoyl]-N-(3-phenoxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80597497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).