2-acetamido-N-cyclopentyloxy-3-methylbutanamide

C12H22N2O3 — CID 83202845

IUPAC2-acetamido-N-cyclopentyloxy-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NOC1CCCC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)11(13-9(3)15)12(16)14-17-10-6-4-5-7-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyHVWHYWYUCZOUBO-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.14
Rot. Bonds5

About 2-acetamido-N-cyclopentyloxy-3-methylbutanamide

2-acetamido-N-cyclopentyloxy-3-methylbutanamide (PubChem CID 83202845) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-acetamido-N-cyclopentyloxy-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-cyclopentyloxy-3-methylbutanamide
PubChem CID83202845
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-acetamido-N-cyclopentyloxy-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NOC1CCCC1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)11(13-9(3)15)12(16)14-17-10-6-4-5-7-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyHVWHYWYUCZOUBO-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
2-chloro-N-cyclopentyloxypropanamide
CID 83228760
(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 95301519
(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid
CID 86662569
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
CID 83202418
N-[(2S)-1-(cyclopentyloxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(E)-5-oxopent-3-en-1-ynyl]benzamide
CID 146262771
N'-cyclohexyloxyacetohydrazide
CID 3028707
(2R)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167403
(2S)-7-amino-N-cyclohexyloxy-2-methylheptanamide
CID 89167578
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
N-cyclopentyloxy-2-(propylsulfonylamino)propanamide
CID 83206638

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclopentyloxy-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-cyclopentyloxy-3-methylbutanamide (CID 83202845) is 2-acetamido-N-cyclopentyloxy-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-cyclopentyloxy-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-cyclopentyloxy-3-methylbutanamide is CC(=O)NC(C(=O)NOC1CCCC1)C(C)C.
What is the InChIKey of 2-acetamido-N-cyclopentyloxy-3-methylbutanamide?
The InChIKey is HVWHYWYUCZOUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)11(13-9(3)15)12(16)14-17-10-6-4-5-7-10/h8,10-11H,4-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-acetamido-N-cyclopentyloxy-3-methylbutanamide?
2-acetamido-N-cyclopentyloxy-3-methylbutanamide has a molecular weight of 242.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclopentyloxy-3-methylbutanamide is sourced from PubChem (CID 83202845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).