3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide

C26H25NO4 — CID 102371243

IUPAC3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide
SMILESCOc1ccc2ccccc2c1-c1c(O)c(C(=O)NCCCCO)cc2ccccc12
InChIInChI=1S/C26H25NO4/c1-31-22-13-12-17-8-2-4-10-19(17)23(22)24-20-11-5-3-9-18(20)16-21(25(24)29)26(30)27-14-6-7-15-28/h2-5,8-13,16,28-29H,6-7,14-15H2,1H3,(H,27,30)
InChIKeyDYHVEPNXTNNSJS-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.88
Rot. Bonds7

About 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide

3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide (PubChem CID 102371243) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide
PubChem CID102371243
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide
SMILESCOc1ccc2ccccc2c1-c1c(O)c(C(=O)NCCCCO)cc2ccccc12
InChIInChI=1S/C26H25NO4/c1-31-22-13-12-17-8-2-4-10-19(17)23(22)24-20-11-5-3-9-18(20)16-21(25(24)29)26(30)27-14-6-7-15-28/h2-5,8-13,16,28-29H,6-7,14-15H2,1H3,(H,27,30)
InChIKeyDYHVEPNXTNNSJS-UHFFFAOYSA-N
XLogP4.88
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(6-hydroxyhexyl)-2,3,6,7-tetramethoxyphenanthrene-9-carboxamide
CID 50905867
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
1,7-dihydroxy-N-(4-hydroxybutyl)naphthalene-2-carboxamide
CID 167772657
N-[4-(2,4-dimethylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
CID 22948480
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide (CID 102371243) is 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide is COc1ccc2ccccc2c1-c1c(O)c(C(=O)NCCCCO)cc2ccccc12.
What is the InChIKey of 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide?
The InChIKey is DYHVEPNXTNNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-31-22-13-12-17-8-2-4-10-19(17)23(22)24-20-11-5-3-9-18(20)16-21(25(24)29)26(30)27-14-6-7-15-28/h2-5,8-13,16,28-29H,6-7,14-15H2,1H3,(H,27,30).
What are the key properties of 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide?
3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 102371243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).