N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide

C16H25N3O2 — CID 76932063

IUPACN,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide
SMILESCCN(C(=O)C(CC)(CC)C(N)=NO)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-16(6-2,14(17)18-21)15(20)19(7-3)13-10-8-12(4)9-11-13/h8-11,21H,5-7H2,1-4H3,(H2,17,18)
InChIKeyRARKOGVWVXIXOV-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.90
Rot. Bonds6

About N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide

N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide (PubChem CID 76932063) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide
PubChem CID76932063
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide
SMILESCCN(C(=O)C(CC)(CC)C(N)=NO)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-16(6-2,14(17)18-21)15(20)19(7-3)13-10-8-12(4)9-11-13/h8-11,21H,5-7H2,1-4H3,(H2,17,18)
InChIKeyRARKOGVWVXIXOV-UHFFFAOYSA-N
XLogP2.90
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide?
The IUPAC name of N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide (CID 76932063) is N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide.
What is the SMILES notation for N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide?
The canonical SMILES for N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide is CCN(C(=O)C(CC)(CC)C(N)=NO)c1ccc(C)cc1.
What is the InChIKey of N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide?
The InChIKey is RARKOGVWVXIXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-16(6-2,14(17)18-21)15(20)19(7-3)13-10-8-12(4)9-11-13/h8-11,21H,5-7H2,1-4H3,(H2,17,18).
What are the key properties of N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide?
N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 76932063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).