N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide

C19H19NO4 — CID 40910582

IUPACN-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2)C1CC1
InChIInChI=1S/C19H19NO4/c21-18(12-4-2-1-3-5-12)14-10-16-17(24-9-8-23-16)11-15(14)20-19(22)13-6-7-13/h1-5,10-11,13,18,21H,6-9H2,(H,20,22)/t18-/m1/s1
InChIKeyAWTGGSYDGBHNBD-GOSISDBHSA-N
MW325.36 g/mol
LogP2.89
Rot. Bonds4

About N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide

N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide (PubChem CID 40910582) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
PubChem CID40910582
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2)C1CC1
InChIInChI=1S/C19H19NO4/c21-18(12-4-2-1-3-5-12)14-10-16-17(24-9-8-23-16)11-15(14)20-19(22)13-6-7-13/h1-5,10-11,13,18,21H,6-9H2,(H,20,22)/t18-/m1/s1
InChIKeyAWTGGSYDGBHNBD-GOSISDBHSA-N
XLogP2.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptanecarboxamide
CID 62585586
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-diphenylacetamide
CID 2567069
3-amino-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxamide
CID 119764037
N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide
CID 25249348
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119298931
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 51963373
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463

Frequently Asked Questions

What is the IUPAC name of N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide (CID 40910582) is N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2)C1CC1.
What is the InChIKey of N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide?
The InChIKey is AWTGGSYDGBHNBD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(12-4-2-1-3-5-12)14-10-16-17(24-9-8-23-16)11-15(14)20-19(22)13-6-7-13/h1-5,10-11,13,18,21H,6-9H2,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide?
N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide has a molecular weight of 325.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(R)-hydroxy(phenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 40910582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).