2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide

C15H21N3O2 — CID 91205312

IUPAC2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(c2ccc(C(N)=NO)cc2)CCC1
InChIInChI=1S/C15H21N3O2/c1-18(2)13(19)10-15(8-3-9-15)12-6-4-11(5-7-12)14(16)17-20/h4-7,20H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyVHGFXKQBQZPULL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.68
Rot. Bonds4

About 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide

2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide (PubChem CID 91205312) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide
PubChem CID91205312
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(c2ccc(C(N)=NO)cc2)CCC1
InChIInChI=1S/C15H21N3O2/c1-18(2)13(19)10-15(8-3-9-15)12-6-4-11(5-7-12)14(16)17-20/h4-7,20H,3,8-10H2,1-2H3,(H2,16,17)
InChIKeyVHGFXKQBQZPULL-UHFFFAOYSA-N
XLogP1.68
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
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

N'-hydroxy-4-[1-(methoxymethyl)cyclopentyl]benzenecarboximidamide
CID 87415926
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77003917
ethyl 4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]oxane-4-carboxylate
CID 58538522
N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103557935
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 76912108
N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
CID 139928433
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 105419929
formic acid;N'-hydroxy-4-(4-hydroxyoxan-4-yl)benzenecarboximidamide
CID 172957539

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide (CID 91205312) is 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide is CN(C)C(=O)CC1(c2ccc(C(N)=NO)cc2)CCC1.
What is the InChIKey of 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide?
The InChIKey is VHGFXKQBQZPULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(2)13(19)10-15(8-3-9-15)12-6-4-11(5-7-12)14(16)17-20/h4-7,20H,3,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide?
2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]cyclobutyl]-N,N-dimethylacetamide is sourced from PubChem (CID 91205312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).