N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide

C18H30N2O5 — CID 143382828

IUPACN-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide
SMILESCCCC(C)OCc1cc(=O)c(O)c(C(=O)NCCC(C)(N)CC)o1
InChIInChI=1S/C18H30N2O5/c1-5-7-12(3)24-11-13-10-14(21)15(22)16(25-13)17(23)20-9-8-18(4,19)6-2/h10,12,22H,5-9,11,19H2,1-4H3,(H,20,23)
InChIKeyIKMZHGMJQVHEFA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.30
Rot. Bonds10

About N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide

N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide (PubChem CID 143382828) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide
PubChem CID143382828
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC NameN-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide
SMILESCCCC(C)OCc1cc(=O)c(O)c(C(=O)NCCC(C)(N)CC)o1
InChIInChI=1S/C18H30N2O5/c1-5-7-12(3)24-11-13-10-14(21)15(22)16(25-13)17(23)20-9-8-18(4,19)6-2/h10,12,22H,5-9,11,19H2,1-4H3,(H,20,23)
InChIKeyIKMZHGMJQVHEFA-UHFFFAOYSA-N
XLogP2.30
TPSA114.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-3-methylpentyl)-3-butoxy-6-methyl-4-oxopyran-2-carboxamide
CID 89080852
N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
CID 89080853
N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89080855
N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080857
6-(aminomethyl)-N-(3-amino-3-methylpentyl)-3-butoxy-4-oxopyran-2-carboxamide
CID 89080859
N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080903
N-(3-amino-3-methylpentyl)-3-butoxy-4-oxopyran-2-carboxamide
CID 89080904
N-(2-amino-2-ethylbutyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89390541

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide?
The IUPAC name of N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide (CID 143382828) is N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide?
The canonical SMILES for N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide is CCCC(C)OCc1cc(=O)c(O)c(C(=O)NCCC(C)(N)CC)o1.
What is the InChIKey of N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide?
The InChIKey is IKMZHGMJQVHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-5-7-12(3)24-11-13-10-14(21)15(22)16(25-13)17(23)20-9-8-18(4,19)6-2/h10,12,22H,5-9,11,19H2,1-4H3,(H,20,23).
What are the key properties of N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide?
N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide is sourced from PubChem (CID 143382828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).