N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide

C15H23N3O2 — CID 76925161

IUPACN-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide
SMILESCCN(C(=O)C(C(N)=NO)C(C)C)c1ccccc1C
InChIInChI=1S/C15H23N3O2/c1-5-18(12-9-7-6-8-11(12)4)15(19)13(10(2)3)14(16)17-20/h6-10,13,20H,5H2,1-4H3,(H2,16,17)
InChIKeyOHOYJAQWHPZWRC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.37
Rot. Bonds5

About N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide

N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide (PubChem CID 76925161) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide
PubChem CID76925161
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide
SMILESCCN(C(=O)C(C(N)=NO)C(C)C)c1ccccc1C
InChIInChI=1S/C15H23N3O2/c1-5-18(12-9-7-6-8-11(12)4)15(19)13(10(2)3)14(16)17-20/h6-10,13,20H,5H2,1-4H3,(H2,16,17)
InChIKeyOHOYJAQWHPZWRC-UHFFFAOYSA-N
XLogP2.37
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.37
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

3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
N-butyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-phenylbutanamide
CID 77047541
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
2-amino-N-ethyl-4-methoxy-N-(2-methylphenyl)butanamide
CID 62472432
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-yloxamide
CID 47332754
N-[(2-chlorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide?
The IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide (CID 76925161) is N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide.
What is the SMILES notation for N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide?
The canonical SMILES for N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide is CCN(C(=O)C(C(N)=NO)C(C)C)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide?
The InChIKey is OHOYJAQWHPZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-18(12-9-7-6-8-11(12)4)15(19)13(10(2)3)14(16)17-20/h6-10,13,20H,5H2,1-4H3,(H2,16,17).
What are the key properties of N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide?
N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 76925161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).