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

C23H26N2O3 — CID 4882619

IUPAC2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C23H26N2O3/c1-3-14-25(16-23(27)24-20-10-6-7-11-22(20)28-2)15-19-18-9-5-4-8-17(18)12-13-21(19)26/h4-13,26H,3,14-16H2,1-2H3,(H,24,27)
InChIKeyYVOCBKRPXBMKBG-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.40
Rot. Bonds8

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

2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 4882619) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID4882619
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C23H26N2O3/c1-3-14-25(16-23(27)24-20-10-6-7-11-22(20)28-2)15-19-18-9-5-4-8-17(18)12-13-21(19)26/h4-13,26H,3,14-16H2,1-2H3,(H,24,27)
InChIKeyYVOCBKRPXBMKBG-UHFFFAOYSA-N
XLogP4.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (CID 4882619) is 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is YVOCBKRPXBMKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-14-25(16-23(27)24-20-10-6-7-11-22(20)28-2)15-19-18-9-5-4-8-17(18)12-13-21(19)26/h4-13,26H,3,14-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4882619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).