N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide

C12H21NO3 — CID 110875698

IUPACN-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide
SMILESCC1(CNC(=O)C2CCCO2)CCOCC1
InChIInChI=1S/C12H21NO3/c1-12(4-7-15-8-5-12)9-13-11(14)10-3-2-6-16-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyDNYXGCOQEHVKMO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide

N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide (PubChem CID 110875698) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide
PubChem CID110875698
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide
SMILESCC1(CNC(=O)C2CCCO2)CCOCC1
InChIInChI=1S/C12H21NO3/c1-12(4-7-15-8-5-12)9-13-11(14)10-3-2-6-16-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyDNYXGCOQEHVKMO-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide (CID 110875698) is N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide is CC1(CNC(=O)C2CCCO2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide?
The InChIKey is DNYXGCOQEHVKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(4-7-15-8-5-12)9-13-11(14)10-3-2-6-16-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide?
N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110875698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).