N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide

C15H23N3O2 — CID 114753751

IUPACN-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O2/c1-3-4-5-6-11-14(19)18(2)13-10-8-7-9-12(13)15(16)17-20/h7-10,20H,3-6,11H2,1-2H3,(H2,16,17)
InChIKeyPQRFYSMDIAPIMK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.71
Rot. Bonds7

About N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide

N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide (PubChem CID 114753751) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide.

Molecular Properties

Compound NameN-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide
PubChem CID114753751
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide
SMILESCCCCCCC(=O)N(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O2/c1-3-4-5-6-11-14(19)18(2)13-10-8-7-9-12(13)15(16)17-20/h7-10,20H,3-6,11H2,1-2H3,(H2,16,17)
InChIKeyPQRFYSMDIAPIMK-UHFFFAOYSA-N
XLogP2.71
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211661
N-methyl-N-phenylnonanamide
CID 54136731
methyl 2-[methyl(3-oxododecanoyl)amino]benzoate
CID 87566674
5-amino-2-[methyl(octanoyl)amino]benzoic acid
CID 63116658
N-(2-fluorophenyl)-N-methylpentanamide
CID 174907677
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
ethyl N-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-methylsulfamoyl]carbamate
CID 114465982
N-(2-ethylphenyl)-N-hexanoylhexanamide
CID 91711142
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide?
The IUPAC name of N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide (CID 114753751) is N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide.
What is the SMILES notation for N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide?
The canonical SMILES for N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide is CCCCCCC(=O)N(C)c1ccccc1/C(N)=N/O.
What is the InChIKey of N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide?
The InChIKey is PQRFYSMDIAPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-5-6-11-14(19)18(2)13-10-8-7-9-12(13)15(16)17-20/h7-10,20H,3-6,11H2,1-2H3,(H2,16,17).
What are the key properties of N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide?
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide has a molecular weight of 277.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide is sourced from PubChem (CID 114753751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).