N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide

C21H21NO3 — CID 68761728

IUPACN-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
SMILESCOc1cccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3c2)c1
InChIInChI=1S/C21H21NO3/c1-14(22-15(2)23)16-7-8-18-12-21(10-9-17(18)11-16)25-20-6-4-5-19(13-20)24-3/h4-14H,1-3H3,(H,22,23)
InChIKeyJZVXIQKCRNHSIL-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.84
Rot. Bonds5

About N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide

N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide (PubChem CID 68761728) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
PubChem CID68761728
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
SMILESCOc1cccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3c2)c1
InChIInChI=1S/C21H21NO3/c1-14(22-15(2)23)16-7-8-18-12-21(10-9-17(18)11-16)25-20-6-4-5-19(13-20)24-3/h4-14H,1-3H3,(H,22,23)
InChIKeyJZVXIQKCRNHSIL-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
1,2-difluoro-3-[(E)-prop-1-enyl]benzene;N-[1-(7-methoxynaphthalen-2-yl)ethyl]acetamide
CID 142902018
N-[1-[4-[2-(3-methoxyphenoxy)ethyl]phenyl]ethyl]acetamide
CID 70787021
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
CID 56754976
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide (CID 68761728) is N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide is COc1cccc(Oc2ccc3cc(C(C)NC(C)=O)ccc3c2)c1.
What is the InChIKey of N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide?
The InChIKey is JZVXIQKCRNHSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14(22-15(2)23)16-7-8-18-12-21(10-9-17(18)11-16)25-20-6-4-5-19(13-20)24-3/h4-14H,1-3H3,(H,22,23).
What are the key properties of N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide?
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide is sourced from PubChem (CID 68761728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).