N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide

C12H21NO3 — CID 111540258

IUPACN-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO3/c1-9(2)10(14)6-7-13-12(15)11-5-3-4-8-16-11/h5,9-10,14H,3-4,6-8H2,1-2H3,(H,13,15)
InChIKeyVMIWGVDUQIGOHA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.20
Rot. Bonds5

About N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111540258) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111540258
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)C(O)CCNC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO3/c1-9(2)10(14)6-7-13-12(15)11-5-3-4-8-16-11/h5,9-10,14H,3-4,6-8H2,1-2H3,(H,13,15)
InChIKeyVMIWGVDUQIGOHA-UHFFFAOYSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84592163
N-[(2S)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99813218
N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99813219
N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 102558787
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103771174
N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109381205
N-(1-cyclopropyl-3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109618191
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109943990
3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023452
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539072
N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539315

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 111540258) is N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)C(O)CCNC(=O)C1=CCCCO1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is VMIWGVDUQIGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)10(14)6-7-13-12(15)11-5-3-4-8-16-11/h5,9-10,14H,3-4,6-8H2,1-2H3,(H,13,15).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111540258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).