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

C22H23NO3 — CID 12985489

IUPACN-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3ccccc3CO)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H23NO3/c1-15(25)23-10-9-17-12-19(21-6-4-3-5-18(21)14-24)11-16-7-8-20(26-2)13-22(16)17/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)
InChIKeyWWCRUUZZXIRALU-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.69
Rot. Bonds6

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

N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 12985489) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID12985489
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(-c3ccccc3CO)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C22H23NO3/c1-15(25)23-10-9-17-12-19(21-6-4-3-5-18(21)14-24)11-16-7-8-20(26-2)13-22(16)17/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)
InChIKeyWWCRUUZZXIRALU-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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Related Compounds

Agomelatine
CID 82148
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, 4-chloro-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071634
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
Cbobnea
CID 9957516
S24773
CID 22133318
N-[2-(2-Methoxy-1-naphthyl)ethyl]trifluoroacetamide
CID 11779359
N-cyclopropylcarbonyl-2-(7-methoxy-1-naphthyl)ethylamine
CID 164405

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 12985489) is N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(-c3ccccc3CO)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is WWCRUUZZXIRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15(25)23-10-9-17-12-19(21-6-4-3-5-18(21)14-24)11-16-7-8-20(26-2)13-22(16)17/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[3-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-[2-(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-[2-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 12985489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).