3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide

C33H30ClN3O5 — CID 71566397

IUPAC3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide
SMILESNCCCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C33H30ClN3O5/c34-25-10-11-28(29(38)20-25)37-33(40)27-17-22-7-2-4-9-24(22)19-31(27)42-15-13-36-32(39)26-16-21-6-1-3-8-23(21)18-30(26)41-14-5-12-35/h1-4,6-11,16-20,38H,5,12-15,35H2,(H,36,39)(H,37,40)
InChIKeyAZHZVCGYOUJGQE-UHFFFAOYSA-N
MW584.07 g/mol
LogP6.14
Rot. Bonds11

About 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide

3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide (PubChem CID 71566397) has the molecular formula C33H30ClN3O5 and a molecular weight of 584.07 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide
PubChem CID71566397
Molecular FormulaC33H30ClN3O5
Molecular Weight584.07 g/mol
Exact Mass583.19
IUPAC Name3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide
SMILESNCCCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C33H30ClN3O5/c34-25-10-11-28(29(38)20-25)37-33(40)27-17-22-7-2-4-9-24(22)19-31(27)42-15-13-36-32(39)26-16-21-6-1-3-8-23(21)18-30(26)41-14-5-12-35/h1-4,6-11,16-20,38H,5,12-15,35H2,(H,36,39)(H,37,40)
InChIKeyAZHZVCGYOUJGQE-UHFFFAOYSA-N
XLogP6.14
TPSA122.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.07
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]-6-methylnaphthalene-2-carboxamide
CID 167229831
[2-[[3-[2-[[3-(3-aminopropoxy)naphthalene-2-carbonyl]amino]ethoxy]naphthalene-2-carbonyl]amino]-5-chlorophenyl] hydrogen sulfate
CID 166633977
3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
CID 90944531
3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 90697122
N-[2-[3-[(5-amino-2,2,4,4-tetramethylpentyl)amino]propoxy]-4-chlorophenyl]-3-hydroxynaphthalene-2-carboxamide;ethane
CID 143981565
3-(2-aminoethoxy)-N-(4-chlorophenyl)naphthalene-2-carboxamide;3-(3-aminopropoxy)-N-(4-chloro-2-hydroxyphenyl)naphthalene-2-carboxamide;N-[2-(3-aminopropoxy)-4-chlorophenyl]-3-hydroxynaphthalene-2-carboxamide;N-(4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide;3-hydroxy-N-pyrazin-2-ylnaphthalene-2-carboxamide;3-hydroxy-N-pyridin-2-ylnaphthalene-2-carboxamide;3-hydroxy-N-pyridin-4-ylnaphthalene-2-carboxamide;dihydrochloride
CID 159579729
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide (CID 71566397) is 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide is NCCCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide?
The InChIKey is AZHZVCGYOUJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN3O5/c34-25-10-11-28(29(38)20-25)37-33(40)27-17-22-7-2-4-9-24(22)19-31(27)42-15-13-36-32(39)26-16-21-6-1-3-8-23(21)18-30(26)41-14-5-12-35/h1-4,6-11,16-20,38H,5,12-15,35H2,(H,36,39)(H,37,40).
What are the key properties of 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide?
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide has a molecular weight of 584.07 g/mol, XLogP of 6.14, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 71566397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).