N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide

C22H21NO2 — CID 18513157

IUPACN-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide
SMILESCOc1ccc2cc(-c3ccccc3)cc(C3(NC(C)=O)CC3)c2c1
InChIInChI=1S/C22H21NO2/c1-15(24)23-22(10-11-22)21-13-18(16-6-4-3-5-7-16)12-17-8-9-19(25-2)14-20(17)21/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)
InChIKeyFGQVWQJOKLDVJR-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.64
Rot. Bonds4

About N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide

N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide (PubChem CID 18513157) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide
PubChem CID18513157
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide
SMILESCOc1ccc2cc(-c3ccccc3)cc(C3(NC(C)=O)CC3)c2c1
InChIInChI=1S/C22H21NO2/c1-15(24)23-22(10-11-22)21-13-18(16-6-4-3-5-7-16)12-17-8-9-19(25-2)14-20(17)21/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)
InChIKeyFGQVWQJOKLDVJR-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide?
The IUPAC name of N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide (CID 18513157) is N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide.
What is the SMILES notation for N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide?
The canonical SMILES for N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide is COc1ccc2cc(-c3ccccc3)cc(C3(NC(C)=O)CC3)c2c1.
What is the InChIKey of N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide?
The InChIKey is FGQVWQJOKLDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15(24)23-22(10-11-22)21-13-18(16-6-4-3-5-7-16)12-17-8-9-19(25-2)14-20(17)21/h3-9,12-14H,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide?
N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-3-phenylnaphthalen-1-yl)cyclopropyl]acetamide is sourced from PubChem (CID 18513157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).