2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide

C22H23NO3 — CID 90499582

IUPAC2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-2-26-20-13-12-16-8-6-7-11-18(16)21(20)22(25)23-15-14-19(24)17-9-4-3-5-10-17/h3-13,19,24H,2,14-15H2,1H3,(H,23,25)
InChIKeyPOJDAMNZOJZWED-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.09
Rot. Bonds7

About 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide

2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide (PubChem CID 90499582) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
PubChem CID90499582
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-2-26-20-13-12-16-8-6-7-11-18(16)21(20)22(25)23-15-14-19(24)17-9-4-3-5-10-17/h3-13,19,24H,2,14-15H2,1H3,(H,23,25)
InChIKeyPOJDAMNZOJZWED-UHFFFAOYSA-N
XLogP4.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
CID 90524106
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 91812891
(2S)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]-4-sulfobutanoic acid
CID 89123836
2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 97414456
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 509333
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
CID 90549244

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide (CID 90499582) is 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide?
The InChIKey is POJDAMNZOJZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-2-26-20-13-12-16-8-6-7-11-18(16)21(20)22(25)23-15-14-19(24)17-9-4-3-5-10-17/h3-13,19,24H,2,14-15H2,1H3,(H,23,25).
What are the key properties of 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide?
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90499582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).