3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide

C20H20N2O3 — CID 90697122

IUPAC3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
SMILESNCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C20H20N2O3/c21-10-3-11-25-19-13-15-5-2-1-4-14(15)12-18(19)20(24)22-16-6-8-17(23)9-7-16/h1-2,4-9,12-13,23H,3,10-11,21H2,(H,22,24)
InChIKeyMDBREOZOQPJVAQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.53
Rot. Bonds6

About 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide

3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 90697122) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
PubChem CID90697122
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
SMILESNCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C20H20N2O3/c21-10-3-11-25-19-13-15-5-2-1-4-14(15)12-18(19)20(24)22-16-6-8-17(23)9-7-16/h1-2,4-9,12-13,23H,3,10-11,21H2,(H,22,24)
InChIKeyMDBREOZOQPJVAQ-UHFFFAOYSA-N
XLogP3.53
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
CID 90944531
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide
CID 71566397
2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide
CID 78350471
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
[2-[[3-[2-[[3-(3-aminopropoxy)naphthalene-2-carbonyl]amino]ethoxy]naphthalene-2-carbonyl]amino]-5-chlorophenyl] hydrogen sulfate
CID 166633977
2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide
CID 46228043
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]-6-methylnaphthalene-2-carboxamide
CID 167229831
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide (CID 90697122) is 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide is NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is MDBREOZOQPJVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-10-3-11-25-19-13-15-5-2-1-4-14(15)12-18(19)20(24)22-16-6-8-17(23)9-7-16/h1-2,4-9,12-13,23H,3,10-11,21H2,(H,22,24).
What are the key properties of 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide?
3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 90697122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).