N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide

C19H19NO4 — CID 27456004

IUPACN-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H19NO4/c21-18(20-15-6-7-16-17(12-15)24-13-23-16)19(8-10-22-11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21)
InChIKeyFXLQNAITFBQEJU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.10
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide

N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide (PubChem CID 27456004) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
PubChem CID27456004
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H19NO4/c21-18(20-15-6-7-16-17(12-15)24-13-23-16)19(8-10-22-11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21)
InChIKeyFXLQNAITFBQEJU-UHFFFAOYSA-N
XLogP3.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxane-4-carboxamide
CID 86897366
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
CID 56763708
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-N'-(1,3-benzodioxol-5-yl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974870
2-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240738
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-phenyloxane-4-carboxamide
CID 56508324
1-(1,3-benzodioxol-5-yl)-N-[4-phenyl-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159543458
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide (CID 27456004) is N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is FXLQNAITFBQEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(20-15-6-7-16-17(12-15)24-13-23-16)19(8-10-22-11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 27456004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).