N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide

C22H23NO3 — CID 12985490

IUPACN-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3ccc(CO)cc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H23NO3/c1-15(25)23-10-9-19-12-20(17-5-3-16(14-24)4-6-17)11-18-7-8-21(26-2)13-22(18)19/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)
InChIKeyZFPVPOGVAGJIQY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.69
Rot. Bonds6

About N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide

N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 12985490) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID12985490
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3ccc(CO)cc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H23NO3/c1-15(25)23-10-9-19-12-20(17-5-3-16(14-24)4-6-17)11-18-7-8-21(26-2)13-22(18)19/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)
InChIKeyZFPVPOGVAGJIQY-UHFFFAOYSA-N
XLogP3.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 12985490) is N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(-c3ccc(CO)cc3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is ZFPVPOGVAGJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15(25)23-10-9-19-12-20(17-5-3-16(14-24)4-6-17)11-18-7-8-21(26-2)13-22(18)19/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 12985490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).