N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide

C18H22N2O3 — CID 24750077

IUPACN-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(C)=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)
InChIKeyGBGLMAYDVAMCSR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide

N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide (PubChem CID 24750077) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
PubChem CID24750077
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(C)=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)
InChIKeyGBGLMAYDVAMCSR-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide (CID 24750077) is N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide is COc1cccc(N(CCNC(C)=O)c2cccc(OC)c2)c1.
What is the InChIKey of N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide?
The InChIKey is GBGLMAYDVAMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide?
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide is sourced from PubChem (CID 24750077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).