N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H29N3O3 — CID 103940428

IUPACN-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C15H29N3O3/c1-14(2,3)21-11-12(19)17-15(13(16)18-20)9-7-5-4-6-8-10-15/h20H,4-11H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyDBTWVAYFQUASJM-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.15
Rot. Bonds4

About N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940428) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940428
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC1(C(N)=NO)CCCCCCC1
InChIInChI=1S/C15H29N3O3/c1-14(2,3)21-11-12(19)17-15(13(16)18-20)9-7-5-4-6-8-10-15/h20H,4-11H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyDBTWVAYFQUASJM-UHFFFAOYSA-N
XLogP2.15
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.15
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-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
4,4,4-trifluoro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]butanamide
CID 77099659
3-ethoxy-N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]propanamide
CID 76947053
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
CID 104982293
1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
CID 79161293
N-[1-(hydroxymethyl)cyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968618
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]azepane-1-carboxamide
CID 79152834
N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 103940438
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940428) is N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NC1(C(N)=NO)CCCCCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is DBTWVAYFQUASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-14(2,3)21-11-12(19)17-15(13(16)18-20)9-7-5-4-6-8-10-15/h20H,4-11H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 299.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).