1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide

C15H27N3O3 — CID 76927301

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCC2CCCOC2)CCCCCC1
InChIInChI=1S/C15H27N3O3/c16-13(18-20)15(7-3-1-2-4-8-15)14(19)17-10-12-6-5-9-21-11-12/h12,20H,1-11H2,(H2,16,18)(H,17,19)
InChIKeyFKORACZMRIPLFI-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.62
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide (PubChem CID 76927301) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
PubChem CID76927301
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCC2CCCOC2)CCCCCC1
InChIInChI=1S/C15H27N3O3/c16-13(18-20)15(7-3-1-2-4-8-15)14(19)17-10-12-6-5-9-21-11-12/h12,20H,1-11H2,(H2,16,18)(H,17,19)
InChIKeyFKORACZMRIPLFI-UHFFFAOYSA-N
XLogP1.62
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.62
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-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919567
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cycloheptane-1-carboxamide
CID 76920724
N-(2-cyclobutylethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 104864523
1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
CID 80588032
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 76920812
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxamide
CID 80597258
N-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80597288
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434
N-(3-amino-3-oxopropyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920303
4-(N'-hydroxycarbamimidoyl)-N-(thiolan-2-ylmethyl)oxane-4-carboxamide
CID 80585899

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide (CID 76927301) is 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide is NC(=NO)C1(C(=O)NCC2CCCOC2)CCCCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
The InChIKey is FKORACZMRIPLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c16-13(18-20)15(7-3-1-2-4-8-15)14(19)17-10-12-6-5-9-21-11-12/h12,20H,1-11H2,(H2,16,18)(H,17,19).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 76927301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).