2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide

C11H23N3O3 — CID 76926122

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
SMILESCOCC(C)N(C)C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C11H23N3O3/c1-7(2)9(10(12)13-16)11(15)14(4)8(3)6-17-5/h7-9,16H,6H2,1-5H3,(H2,12,13)
InChIKeyOMZKDUCFKLXTNE-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.50
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide

2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide (PubChem CID 76926122) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
PubChem CID76926122
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
SMILESCOCC(C)N(C)C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C11H23N3O3/c1-7(2)9(10(12)13-16)11(15)14(4)8(3)6-17-5/h7-9,16H,6H2,1-5H3,(H2,12,13)
InChIKeyOMZKDUCFKLXTNE-UHFFFAOYSA-N
XLogP0.50
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.50
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

2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropanamide
CID 76975517
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925783
2-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76926837
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752
2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
CID 60947484
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 76923943
N-(3-ethylpentan-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77055856

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide (CID 76926122) is 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide is COCC(C)N(C)C(=O)C(C(N)=NO)C(C)C.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide?
The InChIKey is OMZKDUCFKLXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-7(2)9(10(12)13-16)11(15)14(4)8(3)6-17-5/h7-9,16H,6H2,1-5H3,(H2,12,13).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide?
2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide has a molecular weight of 245.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide is sourced from PubChem (CID 76926122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).