2-acetamido-4-imino-3-methoxy-N-methylpentanamide

C9H17N3O3 — CID 123168761

IUPAC2-acetamido-4-imino-3-methoxy-N-methylpentanamide
SMILES[H]/N=C(\C)C(OC)C(NC(C)=O)C(=O)NC
InChIInChI=1S/C9H17N3O3/c1-5(10)8(15-4)7(9(14)11-3)12-6(2)13/h7-8,10H,1-4H3,(H,11,14)(H,12,13)/b10-5+
InChIKeyWJZLWGQKHMQRQE-BJMVGYQFSA-N
MW215.25 g/mol
LogP-0.71
Rot. Bonds5

About 2-acetamido-4-imino-3-methoxy-N-methylpentanamide

2-acetamido-4-imino-3-methoxy-N-methylpentanamide (PubChem CID 123168761) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-acetamido-4-imino-3-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name2-acetamido-4-imino-3-methoxy-N-methylpentanamide
PubChem CID123168761
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-acetamido-4-imino-3-methoxy-N-methylpentanamide
SMILES[H]/N=C(\C)C(OC)C(NC(C)=O)C(=O)NC
InChIInChI=1S/C9H17N3O3/c1-5(10)8(15-4)7(9(14)11-3)12-6(2)13/h7-8,10H,1-4H3,(H,11,14)(H,12,13)/b10-5+
InChIKeyWJZLWGQKHMQRQE-BJMVGYQFSA-N
XLogP-0.71
TPSA91.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
(3S)-3-acetamido-2-hydroxy-4-(methylamino)-4-oxobutanoic acid
CID 144619182
[(2R,3S)-3-acetamido-4-(methylamino)-4-oxobutan-2-yl] dihydrogen phosphate
CID 102038450
N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
CID 162255629
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
4-imino-3-(methylamino)pentan-2-one
CID 54015151
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
[1-(methylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 59423610
(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide
CID 90299785
methyl (2R,3R)-2-acetamido-3-hydroxybutanoate
CID 92981459
[(2R,4R)-2,4-diacetyloxy-1,5-bis(methylamino)-1,5-dioxopentan-3-yl] acetate
CID 102499783
4-methoxy-3-methylpentan-2-imine
CID 174533690

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-imino-3-methoxy-N-methylpentanamide?
The IUPAC name of 2-acetamido-4-imino-3-methoxy-N-methylpentanamide (CID 123168761) is 2-acetamido-4-imino-3-methoxy-N-methylpentanamide.
What is the SMILES notation for 2-acetamido-4-imino-3-methoxy-N-methylpentanamide?
The canonical SMILES for 2-acetamido-4-imino-3-methoxy-N-methylpentanamide is [H]/N=C(\C)C(OC)C(NC(C)=O)C(=O)NC.
What is the InChIKey of 2-acetamido-4-imino-3-methoxy-N-methylpentanamide?
The InChIKey is WJZLWGQKHMQRQE-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-5(10)8(15-4)7(9(14)11-3)12-6(2)13/h7-8,10H,1-4H3,(H,11,14)(H,12,13)/b10-5+.
What are the key properties of 2-acetamido-4-imino-3-methoxy-N-methylpentanamide?
2-acetamido-4-imino-3-methoxy-N-methylpentanamide has a molecular weight of 215.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-imino-3-methoxy-N-methylpentanamide is sourced from PubChem (CID 123168761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).