N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide

C24H43NO2 — CID 141363244

IUPACN,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC1=CC=COC1
InChIInChI=1S/C24H43NO2/c1-5-9-12-21(7-3)18-25(19-22(8-4)13-10-6-2)24(26)16-15-23-14-11-17-27-20-23/h11,14,17,21-22H,5-10,12-13,15-16,18-20H2,1-4H3
InChIKeyVBNIXCVUXSFQHF-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.50
Rot. Bonds15

About N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide

N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide (PubChem CID 141363244) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide
PubChem CID141363244
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC NameN,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC1=CC=COC1
InChIInChI=1S/C24H43NO2/c1-5-9-12-21(7-3)18-25(19-22(8-4)13-10-6-2)24(26)16-15-23-14-11-17-27-20-23/h11,14,17,21-22H,5-10,12-13,15-16,18-20H2,1-4H3
InChIKeyVBNIXCVUXSFQHF-UHFFFAOYSA-N
XLogP6.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
propyl 6-[bis(2-ethylhexyl)amino]-6-oxohexanoate
CID 91717811
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249
2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid
CID 177435177
hexakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum
CID 18173000
tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
CID 14251989
2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide
CID 102252258

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide (CID 141363244) is N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC1=CC=COC1.
What is the InChIKey of N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide?
The InChIKey is VBNIXCVUXSFQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-5-9-12-21(7-3)18-25(19-22(8-4)13-10-6-2)24(26)16-15-23-14-11-17-27-20-23/h11,14,17,21-22H,5-10,12-13,15-16,18-20H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide?
N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide has a molecular weight of 377.61 g/mol, XLogP of 6.50, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-3-(2H-pyran-3-yl)propanamide is sourced from PubChem (CID 141363244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).