N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide

C14H25NO2 — CID 95238904

IUPACN-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)C1=COCCC1
InChIInChI=1S/C14H25NO2/c1-3-5-7-12(4-2)10-15-14(16)13-8-6-9-17-11-13/h11-12H,3-10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyPVYBJQLJJAXRKA-LBPRGKRZSA-N
MW239.36 g/mol
LogP3.01
Rot. Bonds7

About N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 95238904) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID95238904
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)C1=COCCC1
InChIInChI=1S/C14H25NO2/c1-3-5-7-12(4-2)10-15-14(16)13-8-6-9-17-11-13/h11-12H,3-10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyPVYBJQLJJAXRKA-LBPRGKRZSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97211367
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid
CID 115923971
4-butyl-N-(2-ethylhexyl)benzamide
CID 91723782
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
2-(2-ethylhexylcarbamoyl)thiophene-3-carboxylic acid
CID 135271179
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 95238904) is N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide is CCCC[C@H](CC)CNC(=O)C1=COCCC1.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is PVYBJQLJJAXRKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-5-7-12(4-2)10-15-14(16)13-8-6-9-17-11-13/h11-12H,3-10H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 95238904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).