N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide

C18H21NO3 — CID 23360832

IUPACN-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide
SMILESCCC(=O)c1cc(CCNC(C)=O)c2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO3/c1-4-18(21)15-9-13-5-6-16(22-3)11-17(13)14(10-15)7-8-19-12(2)20/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyWMHXHIDJVRTFDK-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide

N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide (PubChem CID 23360832) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide
PubChem CID23360832
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide
SMILESCCC(=O)c1cc(CCNC(C)=O)c2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO3/c1-4-18(21)15-9-13-5-6-16(22-3)11-17(13)14(10-15)7-8-19-12(2)20/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyWMHXHIDJVRTFDK-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide (CID 23360832) is N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide is CCC(=O)c1cc(CCNC(C)=O)c2cc(OC)ccc2c1.
What is the InChIKey of N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide?
The InChIKey is WMHXHIDJVRTFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-18(21)15-9-13-5-6-16(22-3)11-17(13)14(10-15)7-8-19-12(2)20/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-3-propanoylnaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 23360832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).