2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide

C10H20N2O3 — CID 177105985

IUPAC2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide
SMILES[2H]CC(=O)NC(CC(C)C)C(=O)NCCO[2H]
InChIInChI=1S/C10H20N2O3/c1-7(2)6-9(12-8(3)14)10(15)11-4-5-13/h7,9,13H,4-6H2,1-3H3,(H,11,15)(H,12,14)/i3D,13D
InChIKeySFODDAZVJUPTIV-CCIBYJQVSA-N
MW218.29 g/mol
LogP-0.35
Rot. Bonds8

About 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide

2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide (PubChem CID 177105985) has the molecular formula C10H20N2O3 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide
PubChem CID177105985
Molecular FormulaC10H20N2O3
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide
SMILES[2H]CC(=O)NC(CC(C)C)C(=O)NCCO[2H]
InChIInChI=1S/C10H20N2O3/c1-7(2)6-9(12-8(3)14)10(15)11-4-5-13/h7,9,13H,4-6H2,1-3H3,(H,11,15)(H,12,14)/i3D,13D
InChIKeySFODDAZVJUPTIV-CCIBYJQVSA-N
XLogP-0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(2-deuterioacetyl)amino]-4-methylpentanoate
CID 57128770
2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
CID 7009642
methyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963905
methyl (2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963903
(2S)-2-acetamido-N-[4-(dibenzylamino)-4-oxobutyl]-4-methylpentanamide
CID 156595848
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457
methyl (2S)-2-[[(2S)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]propanoyl]amino]propanoate
CID 46867428
4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
CID 166698451
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
[1-[[2-[(2-acetamido-4-methylpentanoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 142234996
2-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]oxyacetic acid
CID 71454254

Frequently Asked Questions

What is the IUPAC name of 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide?
The IUPAC name of 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide (CID 177105985) is 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide.
What is the SMILES notation for 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide?
The canonical SMILES for 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide is [2H]CC(=O)NC(CC(C)C)C(=O)NCCO[2H].
What is the InChIKey of 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide?
The InChIKey is SFODDAZVJUPTIV-CCIBYJQVSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)6-9(12-8(3)14)10(15)11-4-5-13/h7,9,13H,4-6H2,1-3H3,(H,11,15)(H,12,14)/i3D,13D.
What are the key properties of 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide?
2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide has a molecular weight of 218.29 g/mol, XLogP of -0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-deuterioacetyl)amino]-N-(2-deuteriooxyethyl)-4-methylpentanamide is sourced from PubChem (CID 177105985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).