N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

C14H25N3O3 — CID 76921771

IUPACN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCN(C(=O)C1(C(N)=NO)CCCCC1)C1CC1
InChIInChI=1S/C14H25N3O3/c1-20-10-9-17(11-5-6-11)13(18)14(12(15)16-19)7-3-2-4-8-14/h11,19H,2-10H2,1H3,(H2,15,16)
InChIKeyNERCMZPNOIWCDH-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.32
Rot. Bonds6

About N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (PubChem CID 76921771) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
PubChem CID76921771
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCN(C(=O)C1(C(N)=NO)CCCCC1)C1CC1
InChIInChI=1S/C14H25N3O3/c1-20-10-9-17(11-5-6-11)13(18)14(12(15)16-19)7-3-2-4-8-14/h11,19H,2-10H2,1H3,(H2,15,16)
InChIKeyNERCMZPNOIWCDH-UHFFFAOYSA-N
XLogP1.32
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.32
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-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (CID 76921771) is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is COCCN(C(=O)C1(C(N)=NO)CCCCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is NERCMZPNOIWCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-20-10-9-17(11-5-6-11)13(18)14(12(15)16-19)7-3-2-4-8-14/h11,19H,2-10H2,1H3,(H2,15,16).
What are the key properties of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 76921771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).