N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide

C12H23NO4 — CID 163836334

IUPACN-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide
SMILESCCOC(O)C(O)C(CC1CCC1)NC(C)=O
InChIInChI=1S/C12H23NO4/c1-3-17-12(16)11(15)10(13-8(2)14)7-9-5-4-6-9/h9-12,15-16H,3-7H2,1-2H3,(H,13,14)
InChIKeyOIAXYUJTDMHJIV-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.40
Rot. Bonds7

About N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide

N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide (PubChem CID 163836334) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide
PubChem CID163836334
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide
SMILESCCOC(O)C(O)C(CC1CCC1)NC(C)=O
InChIInChI=1S/C12H23NO4/c1-3-17-12(16)11(15)10(13-8(2)14)7-9-5-4-6-9/h9-12,15-16H,3-7H2,1-2H3,(H,13,14)
InChIKeyOIAXYUJTDMHJIV-UHFFFAOYSA-N
XLogP0.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide
CID 21366338
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
2-[[(2S,3R)-3-acetamido-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoic acid
CID 20660241
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
tert-butyl N-[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]carbamate
CID 139674733
N-(1-cyclobutylpropyl)acetamide
CID 127002620
N-(2-acetamido-1,2-diethoxyethyl)acetamide
CID 3881285
N-[(1S,2S)-2-acetamido-1,2-diethoxyethyl]acetamide
CID 7034238
tert-butyl N-[(1R,2S)-1-cyano-3-cyclobutyl-1-hydroxypropan-2-yl]carbamate
CID 94863793
tert-butyl N-[1-(azanylidyne(113C)methyl)-3-cyclobutyl-1-hydroxypropan-2-yl]carbamate
CID 57385968
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
CID 91554374

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide?
The IUPAC name of N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide (CID 163836334) is N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide.
What is the SMILES notation for N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide?
The canonical SMILES for N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide is CCOC(O)C(O)C(CC1CCC1)NC(C)=O.
What is the InChIKey of N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide?
The InChIKey is OIAXYUJTDMHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-17-12(16)11(15)10(13-8(2)14)7-9-5-4-6-9/h9-12,15-16H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide?
N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide has a molecular weight of 245.32 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-4-ethoxy-3,4-dihydroxybutan-2-yl)acetamide is sourced from PubChem (CID 163836334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).