N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide

C15H27N3O2 — CID 104864523

IUPACN-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCC2CCC2)CCCCCC1
InChIInChI=1S/C15H27N3O2/c16-13(18-20)15(9-3-1-2-4-10-15)14(19)17-11-8-12-6-5-7-12/h12,20H,1-11H2,(H2,16,18)(H,17,19)
InChIKeyOGUWHCHEGWXANB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.38
Rot. Bonds5

About N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide

N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide (PubChem CID 104864523) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
PubChem CID104864523
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCCC2CCC2)CCCCCC1
InChIInChI=1S/C15H27N3O2/c16-13(18-20)15(9-3-1-2-4-10-15)14(19)17-11-8-12-6-5-7-12/h12,20H,1-11H2,(H2,16,18)(H,17,19)
InChIKeyOGUWHCHEGWXANB-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919567
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
N-(3-amino-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920303
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920211
N-(2-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594384
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 76927301
1-carbamothioyl-N-(2-cyclopentylethyl)cyclobutane-1-carboxamide
CID 80589534
1-(N'-hydroxycarbamimidoyl)-N-[3-(methylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 76927089
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 106240207
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919736
N-(3-cyclopentylpropyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 106014300

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide?
The IUPAC name of N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide (CID 104864523) is N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide is NC(=NO)C1(C(=O)NCCC2CCC2)CCCCCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide?
The InChIKey is OGUWHCHEGWXANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-13(18-20)15(9-3-1-2-4-10-15)14(19)17-11-8-12-6-5-7-12/h12,20H,1-11H2,(H2,16,18)(H,17,19).
What are the key properties of N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide?
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 104864523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).