N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide

C14H25N3O3 — CID 76982149

IUPACN-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide
SMILESNC(=NO)C1(NC(=O)C2CCCOC2)CCCCCC1
InChIInChI=1S/C14H25N3O3/c15-13(17-19)14(7-3-1-2-4-8-14)16-12(18)11-6-5-9-20-10-11/h11,19H,1-10H2,(H2,15,17)(H,16,18)
InChIKeyMWQCUTXTKRMTTR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.37
Rot. Bonds3

About N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide

N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide (PubChem CID 76982149) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide
PubChem CID76982149
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide
SMILESNC(=NO)C1(NC(=O)C2CCCOC2)CCCCCC1
InChIInChI=1S/C14H25N3O3/c15-13(17-19)14(7-3-1-2-4-8-14)16-12(18)11-6-5-9-20-10-11/h11,19H,1-10H2,(H2,15,17)(H,16,18)
InChIKeyMWQCUTXTKRMTTR-UHFFFAOYSA-N
XLogP1.37
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.37
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'}

Analyze N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-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

(3R)-N-[1-(ethylcarbamoyl)cyclopentyl]oxane-3-carboxamide
CID 124737897
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiolane-2-carboxamide
CID 77021518
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]azepane-1-carboxamide
CID 79152834
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]thiane-2-carboxamide
CID 80596644
1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 76927301
N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 115365575
oxane-3-carboxamide
CID 22714381
N-[2-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982116
N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 61276669
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide (CID 76982149) is N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide is NC(=NO)C1(NC(=O)C2CCCOC2)CCCCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide?
The InChIKey is MWQCUTXTKRMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-13(17-19)14(7-3-1-2-4-8-14)16-12(18)11-6-5-9-20-10-11/h11,19H,1-10H2,(H2,15,17)(H,16,18).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide?
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide is sourced from PubChem (CID 76982149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).