N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide

C25H26N2O3 — CID 47029137

IUPACN-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H26N2O3/c28-23-16-21-8-4-3-7-20(21)15-22(23)24(29)26-17-18-9-11-19(12-10-18)25(30)27-13-5-1-2-6-14-27/h3-4,7-12,15-16,28H,1-2,5-6,13-14,17H2,(H,26,29)
InChIKeyYXMUHHSXRPCZRJ-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.49
Rot. Bonds4

About N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide

N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 47029137) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID47029137
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H26N2O3/c28-23-16-21-8-4-3-7-20(21)15-22(23)24(29)26-17-18-9-11-19(12-10-18)25(30)27-13-5-1-2-6-14-27/h3-4,7-12,15-16,28H,1-2,5-6,13-14,17H2,(H,26,29)
InChIKeyYXMUHHSXRPCZRJ-UHFFFAOYSA-N
XLogP4.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
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4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
CID 171536234
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
CID 137452341
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide (CID 47029137) is N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is YXMUHHSXRPCZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-23-16-21-8-4-3-7-20(21)15-22(23)24(29)26-17-18-9-11-19(12-10-18)25(30)27-13-5-1-2-6-14-27/h3-4,7-12,15-16,28H,1-2,5-6,13-14,17H2,(H,26,29).
What are the key properties of N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 47029137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).