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

C10H21N3O3 — CID 104553323

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
SMILESCC(C)C(C(=O)N(C)C(C)CO)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-6(2)8(9(11)12-16)10(15)13(4)7(3)5-14/h6-8,14,16H,5H2,1-4H3,(H2,11,12)
InChIKeyOWQRDFJCYXLXPJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.16
Rot. Bonds5

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

2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide (PubChem CID 104553323) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
PubChem CID104553323
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
SMILESCC(C)C(C(=O)N(C)C(C)CO)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-6(2)8(9(11)12-16)10(15)13(4)7(3)5-14/h6-8,14,16H,5H2,1-4H3,(H2,11,12)
InChIKeyOWQRDFJCYXLXPJ-UHFFFAOYSA-N
XLogP-0.16
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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-methoxypropan-2-yl)-N,3-dimethylbutanamide
CID 76926122
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,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
3-amino-N-(1-hydroxypropan-2-yl)-N,2-dimethylpropanamide
CID 104551595
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 76923943
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925668

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide (CID 104553323) is 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide is CC(C)C(C(=O)N(C)C(C)CO)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide?
The InChIKey is OWQRDFJCYXLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-6(2)8(9(11)12-16)10(15)13(4)7(3)5-14/h6-8,14,16H,5H2,1-4H3,(H2,11,12).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide?
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide is sourced from PubChem (CID 104553323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).