2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide

C14H21N3O3 — CID 114292902

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)c1cccc(OC)c1)/C(N)=N/O
InChIInChI=1S/C14H21N3O3/c1-5-14(2,12(15)16-19)13(18)17(3)10-7-6-8-11(9-10)20-4/h6-9,19H,5H2,1-4H3,(H2,15,16)
InChIKeyYVCOBOWTUIFLAR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.82
Rot. Bonds5

About 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide (PubChem CID 114292902) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide
PubChem CID114292902
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)c1cccc(OC)c1)/C(N)=N/O
InChIInChI=1S/C14H21N3O3/c1-5-14(2,12(15)16-19)13(18)17(3)10-7-6-8-11(9-10)20-4/h6-9,19H,5H2,1-4H3,(H2,15,16)
InChIKeyYVCOBOWTUIFLAR-UHFFFAOYSA-N
XLogP1.82
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-carbamothioyl-N-(3-methoxyphenyl)-N-methylpentanamide
CID 62003392
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
(2S)-2-amino-N-(3-methoxyphenyl)-N-methylhexanamide
CID 107145312
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
CID 101352571
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide (CID 114292902) is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide is CCC(C)(C(=O)N(C)c1cccc(OC)c1)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide?
The InChIKey is YVCOBOWTUIFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-14(2,12(15)16-19)13(18)17(3)10-7-6-8-11(9-10)20-4/h6-9,19H,5H2,1-4H3,(H2,15,16).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxyphenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 114292902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).