N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide

C12H23NO3 — CID 114951614

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H23NO3/c1-3-4-5-11(14)13(2)10-12(15)6-8-16-9-7-12/h15H,3-10H2,1-2H3
InChIKeyWNEBRJWBLULOED-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.18
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide (PubChem CID 114951614) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
PubChem CID114951614
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C12H23NO3/c1-3-4-5-11(14)13(2)10-12(15)6-8-16-9-7-12/h15H,3-10H2,1-2H3
InChIKeyWNEBRJWBLULOED-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxy-3-methylpiperidin-1-yl)-4-propan-2-yloxybutan-1-one
CID 84601023
2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 103514015
2,2,3,3,3-pentafluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 108092827
2,2,3,3-tetrafluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 113705150
3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114951347
2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951483
4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbutanamide
CID 114951587
2-Hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
CID 57024628
N-[(4S)-4-hydroxy-4-methyloxan-3-yl]-N-methylacetamide
CID 60045312
1-[(4-Hydroxyoxan-4-yl)methyl-methylamino]pentan-3-one
CID 70860622
1-(4-Hydroxy-4-methylpiperidin-1-yl)-4-pentan-3-yloxybutan-1-one
CID 71172373
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)butyramide
CID 79039596

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide (CID 114951614) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide is CCCCC(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide?
The InChIKey is WNEBRJWBLULOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-11(14)13(2)10-12(15)6-8-16-9-7-12/h15H,3-10H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide is sourced from PubChem (CID 114951614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).