N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

C12H23N3O3 — CID 76921488

IUPACN-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESCCOCC(C)NC(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C12H23N3O3/c1-3-18-8-9(2)14-11(16)12(10(13)15-17)6-4-5-7-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyXGXCZACSRJRTAB-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.83
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (PubChem CID 76921488) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
PubChem CID76921488
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESCCOCC(C)NC(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C12H23N3O3/c1-3-18-8-9(2)14-11(16)12(10(13)15-17)6-4-5-7-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyXGXCZACSRJRTAB-UHFFFAOYSA-N
XLogP0.83
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.83
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

1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylbutan-2-yl)cycloheptane-1-carboxamide
CID 104864374
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 82950387
N-hexan-3-yl-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76935982
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexan-2-yl)cyclopropane-1-carboxamide
CID 80594716
1-(N'-hydroxycarbamimidoyl)-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 113495161
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclopentane-1-carboxamide
CID 104877293
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 104877300
N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77020487
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (CID 76921488) is N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is CCOCC(C)NC(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The InChIKey is XGXCZACSRJRTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-18-8-9(2)14-11(16)12(10(13)15-17)6-4-5-7-12/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 76921488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).