N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide

C24H27NO3 — CID 12985495

IUPACN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12
InChIInChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)
InChIKeyABRICCKMWDDVJT-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.47
Rot. Bonds8

About N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide

N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide (PubChem CID 12985495) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide
PubChem CID12985495
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12
InChIInChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)
InChIKeyABRICCKMWDDVJT-UHFFFAOYSA-N
XLogP4.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide?
The IUPAC name of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide (CID 12985495) is N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide is CCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12.
What is the InChIKey of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide?
The InChIKey is ABRICCKMWDDVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide?
N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide has a molecular weight of 377.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide is sourced from PubChem (CID 12985495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).