3-methoxy-N-propan-2-yloxolane-3-carboxamide

C9H17NO3 — CID 127002234

IUPAC3-methoxy-N-propan-2-yloxolane-3-carboxamide
SMILESCOC1(C(=O)NC(C)C)CCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)10-8(11)9(12-3)4-5-13-6-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyGMWLSDDEMFVYCU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds3

About 3-methoxy-N-propan-2-yloxolane-3-carboxamide

3-methoxy-N-propan-2-yloxolane-3-carboxamide (PubChem CID 127002234) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yloxolane-3-carboxamide
PubChem CID127002234
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-methoxy-N-propan-2-yloxolane-3-carboxamide
SMILESCOC1(C(=O)NC(C)C)CCOC1
InChIInChI=1S/C9H17NO3/c1-7(2)10-8(11)9(12-3)4-5-13-6-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyGMWLSDDEMFVYCU-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 3-propan-2-yloxyoxolane-3-carboxylate
CID 122164212
propan-2-yl (2S)-6-diazo-2-[(3-methoxyoxolane-3-carbonyl)amino]-5-oxohexanoate
CID 170443611
N-benzyl-3-methoxyoxolane-3-carboxamide
CID 131015413
3-(3-hydroxybutan-2-yloxy)oxolane-3-carboxylic acid
CID 103377964
(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
CID 131001089
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
CID 114417231
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
N,3-dimethyloxolane-3-carboxamide
CID 127840773

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of 3-methoxy-N-propan-2-yloxolane-3-carboxamide (CID 127002234) is 3-methoxy-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for 3-methoxy-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for 3-methoxy-N-propan-2-yloxolane-3-carboxamide is COC1(C(=O)NC(C)C)CCOC1.
What is the InChIKey of 3-methoxy-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is GMWLSDDEMFVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)10-8(11)9(12-3)4-5-13-6-9/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-methoxy-N-propan-2-yloxolane-3-carboxamide?
3-methoxy-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 127002234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).