N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide

C23H25NO3 — CID 3129256

IUPACN-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccccc1OC)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H25NO3/c1-3-4-13-21(26)24-23(18-11-7-8-12-20(18)27-2)22-17-10-6-5-9-16(17)14-15-19(22)25/h5-12,14-15,23,25H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyOMBTVYOJNGWQKJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.95
Rot. Bonds7

About N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide

N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide (PubChem CID 3129256) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
PubChem CID3129256
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccccc1OC)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H25NO3/c1-3-4-13-21(26)24-23(18-11-7-8-12-20(18)27-2)22-17-10-6-5-9-16(17)14-15-19(22)25/h5-12,14-15,23,25H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyOMBTVYOJNGWQKJ-UHFFFAOYSA-N
XLogP4.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[1-[(butanoylamino)-(2-methoxyphenyl)methyl]naphthalen-2-yl] acetate
CID 3129265
N-[(S)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]pentanamide
CID 7432415
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 40500663
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 2294080
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
4-(4-tert-butylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
CID 19173596
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide (CID 3129256) is N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide is CCCCC(=O)NC(c1ccccc1OC)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide?
The InChIKey is OMBTVYOJNGWQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-4-13-21(26)24-23(18-11-7-8-12-20(18)27-2)22-17-10-6-5-9-16(17)14-15-19(22)25/h5-12,14-15,23,25H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide?
N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide has a molecular weight of 363.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 3129256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).