N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

C15H23N3O2 — CID 104829523

IUPACN-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(/C(N)=N/O)cc1)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(15(2,3)4)17-13(19)9-11-5-7-12(8-6-11)14(16)18-20/h5-8,10,20H,9H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyNCPAIMVJPKXQIS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.87
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide (PubChem CID 104829523) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
PubChem CID104829523
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(/C(N)=N/O)cc1)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(15(2,3)4)17-13(19)9-11-5-7-12(8-6-11)14(16)18-20/h5-8,10,20H,9H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyNCPAIMVJPKXQIS-UHFFFAOYSA-N
XLogP1.87
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.87
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

N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77020413
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
3-[[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetyl]amino]-3-methylbutanamide
CID 106098109
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3,4,4-trimethylpentanamide
CID 77009391
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 77001396
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methoxybutan-2-yl)acetamide
CID 77035835
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 77001262
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
N-butan-2-yl-N-ethyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001522
2-[(4-tert-butylbenzoyl)amino]-3-[4-(N'-hydroxycarbamimidoyl)phenyl]propanoic acid
CID 154072458

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide (CID 104829523) is N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide is CC(NC(=O)Cc1ccc(/C(N)=N/O)cc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
The InChIKey is NCPAIMVJPKXQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(15(2,3)4)17-13(19)9-11-5-7-12(8-6-11)14(16)18-20/h5-8,10,20H,9H2,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide?
N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide is sourced from PubChem (CID 104829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).