1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide

C16H29N3O2 — CID 80599385

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(C(N)=NO)CCC2)CCCC1
InChIInChI=1S/C16H29N3O2/c1-12(2)10-15(6-3-4-7-15)11-18-14(20)16(8-5-9-16)13(17)19-21/h12,21H,3-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyFANNEQSDJOLZLL-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.63
Rot. Bonds6

About 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide (PubChem CID 80599385) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide
PubChem CID80599385
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide
SMILESCC(C)CC1(CNC(=O)C2(C(N)=NO)CCC2)CCCC1
InChIInChI=1S/C16H29N3O2/c1-12(2)10-15(6-3-4-7-15)11-18-14(20)16(8-5-9-16)13(17)19-21/h12,21H,3-11H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyFANNEQSDJOLZLL-UHFFFAOYSA-N
XLogP2.63
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.63
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

1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80593987
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
1-(N'-hydroxycarbamimidoyl)-N-propylcycloheptane-1-carboxamide
CID 76920116
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920298
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclopentane-1-carboxamide
CID 104877293
1-(N'-hydroxycarbamimidoyl)-N-(3-methoxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 76930746
N-(2-acetamidoethyl)-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76920211
1-(N'-hydroxycarbamimidoyl)-N-(2-methoxypropyl)cycloheptane-1-carboxamide
CID 102699996
1-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 104877300

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide (CID 80599385) is 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide is CC(C)CC1(CNC(=O)C2(C(N)=NO)CCC2)CCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is FANNEQSDJOLZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)10-15(6-3-4-7-15)11-18-14(20)16(8-5-9-16)13(17)19-21/h12,21H,3-11H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80599385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).