N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C14H25NO3 — CID 102553654

IUPACN-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCOCCC(NC(=O)C1=C(C)OCCC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-10(2)13(7-9-17-4)15-14(16)12-6-5-8-18-11(12)3/h10,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyMIBSLRKQLJAVQK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.25
Rot. Bonds6

About N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 102553654) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID102553654
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCOCCC(NC(=O)C1=C(C)OCCC1)C(C)C
InChIInChI=1S/C14H25NO3/c1-10(2)13(7-9-17-4)15-14(16)12-6-5-8-18-11(12)3/h10,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyMIBSLRKQLJAVQK-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 102553654) is N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is COCCC(NC(=O)C1=C(C)OCCC1)C(C)C.
What is the InChIKey of N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is MIBSLRKQLJAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)13(7-9-17-4)15-14(16)12-6-5-8-18-11(12)3/h10,13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-4-methylpentan-3-yl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 102553654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).