N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide

C12H21NO3 — CID 99813219

IUPACN-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCO[C@@H](CNC(=O)C1=CCCCO1)C(C)C
InChIInChI=1S/C12H21NO3/c1-9(2)11(15-3)8-13-12(14)10-6-4-5-7-16-10/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyAZJOEYVRUDGSLB-NSHDSACASA-N
MW227.30 g/mol
LogP1.47
Rot. Bonds5

About N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 99813219) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID99813219
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCO[C@@H](CNC(=O)C1=CCCCO1)C(C)C
InChIInChI=1S/C12H21NO3/c1-9(2)11(15-3)8-13-12(14)10-6-4-5-7-16-10/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyAZJOEYVRUDGSLB-NSHDSACASA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-ethyl-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxamide
CID 59274605
3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
CID 89390543
(2R)-N-ethyl-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxamide
CID 140548394
(2S)-N-ethyl-2,3,4-trimethyl-2,3-dihydrofuran-5-carboxamide
CID 158192260
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-isobutyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537837
N-isopentyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537839
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973242
2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide
CID 82064566
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039142

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 99813219) is N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide is CO[C@@H](CNC(=O)C1=CCCCO1)C(C)C.
What is the InChIKey of N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is AZJOEYVRUDGSLB-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)11(15-3)8-13-12(14)10-6-4-5-7-16-10/h6,9,11H,4-5,7-8H2,1-3H3,(H,13,14)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 99813219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).