N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide

C19H24ClNO3 — CID 100703954

IUPACN-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCC1=C(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CCCO1
InChIInChI=1S/C19H24ClNO3/c1-2-17-16(4-3-11-24-17)18(22)21-19(9-12-23-13-10-19)14-5-7-15(20)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,21,22)
InChIKeyQEDRJJGLNOKBGG-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.94
Rot. Bonds4

About N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 100703954) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID100703954
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC NameN-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCC1=C(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CCCO1
InChIInChI=1S/C19H24ClNO3/c1-2-17-16(4-3-11-24-17)18(22)21-19(9-12-23-13-10-19)14-5-7-15(20)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,21,22)
InChIKeyQEDRJJGLNOKBGG-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
CID 138992450
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
N-[4-(4-chlorophenyl)oxan-4-yl]-4-cyano-2-methylbenzamide
CID 136516893
N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 95286395
N-[1-(4-chlorophenyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46966635
N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058
N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 167848195
N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
CID 146085233
N-[1-(4-chlorophenyl)cyclopropyl]-2-morpholin-4-ylpropanamide
CID 110446378
1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 56822946
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 100703954) is N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide is CCC1=C(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)CCCO1.
What is the InChIKey of N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is QEDRJJGLNOKBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3/c1-2-17-16(4-3-11-24-17)18(22)21-19(9-12-23-13-10-19)14-5-7-15(20)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 100703954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).