N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide

C21H22N2O2 — CID 24750189

IUPACN-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(C)=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22N2O2/c1-16(24)22-12-13-23(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeyPYUSLQCLSFTYGV-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide

N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide (PubChem CID 24750189) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
PubChem CID24750189
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
SMILESCOc1cccc(N(CCNC(C)=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22N2O2/c1-16(24)22-12-13-23(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeyPYUSLQCLSFTYGV-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide (CID 24750189) is N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide is COc1cccc(N(CCNC(C)=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide?
The InChIKey is PYUSLQCLSFTYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16(24)22-12-13-23(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide?
N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide is sourced from PubChem (CID 24750189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).