N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide

C21H19NO4 — CID 121132420

IUPACN-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
SMILESO=C(NCCC(O)c1ccc2c(c1)OCO2)c1cccc2ccccc12
InChIInChI=1S/C21H19NO4/c23-18(15-8-9-19-20(12-15)26-13-25-19)10-11-22-21(24)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,18,23H,10-11,13H2,(H,22,24)
InChIKeyKXABRDMKGZBKKR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.42
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide

N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide (PubChem CID 121132420) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
PubChem CID121132420
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
SMILESO=C(NCCC(O)c1ccc2c(c1)OCO2)c1cccc2ccccc12
InChIInChI=1S/C21H19NO4/c23-18(15-8-9-19-20(12-15)26-13-25-19)10-11-22-21(24)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,18,23H,10-11,13H2,(H,22,24)
InChIKeyKXABRDMKGZBKKR-UHFFFAOYSA-N
XLogP3.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide
CID 97106108
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 97042796
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-difluorobenzamide
CID 97042754
N'-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N-propyloxamide
CID 121132594
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-2-methoxyacetamide
CID 121132365
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-4,5-dimethoxy-2-nitrobenzamide
CID 121132489
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121132637
N-[(3S)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,3-dimethylphenyl)oxamide
CID 97414367
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-diethoxybenzamide
CID 121132476
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 71804371

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide (CID 121132420) is N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide is O=C(NCCC(O)c1ccc2c(c1)OCO2)c1cccc2ccccc12.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide?
The InChIKey is KXABRDMKGZBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-18(15-8-9-19-20(12-15)26-13-25-19)10-11-22-21(24)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,18,23H,10-11,13H2,(H,22,24).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide?
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 121132420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).