N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide

C21H21NO2 — CID 3071629

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide
SMILESCOc1ccc2cccc(CCNC(=O)Cc3ccccc3)c2c1
InChIInChI=1S/C21H21NO2/c1-24-19-11-10-17-8-5-9-18(20(17)15-19)12-13-22-21(23)14-16-6-3-2-4-7-16/h2-11,15H,12-14H2,1H3,(H,22,23)
InChIKeyMMDQDKPDWJZCKM-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide (PubChem CID 3071629) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide
PubChem CID3071629
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide
SMILESCOc1ccc2cccc(CCNC(=O)Cc3ccccc3)c2c1
InChIInChI=1S/C21H21NO2/c1-24-19-11-10-17-8-5-9-18(20(17)15-19)12-13-22-21(23)14-16-6-3-2-4-7-16/h2-11,15H,12-14H2,1H3,(H,22,23)
InChIKeyMMDQDKPDWJZCKM-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
Acetyl-DL-phenylalanine beta-naphthyl ester
CID 98192
(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
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide (CID 3071629) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide is COc1ccc2cccc(CCNC(=O)Cc3ccccc3)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide?
The InChIKey is MMDQDKPDWJZCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-19-11-10-17-8-5-9-18(20(17)15-19)12-13-22-21(23)14-16-6-3-2-4-7-16/h2-11,15H,12-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide has a molecular weight of 319.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 3071629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).