N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide

C19H21NO5 — CID 90497702

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO5/c1-3-23-15-7-5-4-6-14(15)18(21)20-11-19(2,22)13-8-9-16-17(10-13)25-12-24-16/h4-10,22H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyQPTANZWHXZDEDJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide (PubChem CID 90497702) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
PubChem CID90497702
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO5/c1-3-23-15-7-5-4-6-14(15)18(21)20-11-19(2,22)13-8-9-16-17(10-13)25-12-24-16/h4-10,22H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyQPTANZWHXZDEDJ-UHFFFAOYSA-N
XLogP2.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 95982851
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
CID 30350403
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-fluorobenzamide
CID 90497678
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 90497922
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide (CID 90497702) is N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(C)(O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide?
The InChIKey is QPTANZWHXZDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-23-15-7-5-4-6-14(15)18(21)20-11-19(2,22)13-8-9-16-17(10-13)25-12-24-16/h4-10,22H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide?
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide is sourced from PubChem (CID 90497702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).