N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide

C19H23NO2 — CID 23360842

IUPACN-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CC3CC3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C19H23NO2/c1-13(21)20-8-7-17-11-15(9-14-3-4-14)10-16-5-6-18(22-2)12-19(16)17/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,20,21)
InChIKeyDNKJZNULHOPSPQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.48
Rot. Bonds6

About N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide

N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (PubChem CID 23360842) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
PubChem CID23360842
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2cc(CC3CC3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C19H23NO2/c1-13(21)20-8-7-17-11-15(9-14-3-4-14)10-16-5-6-18(22-2)12-19(16)17/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,20,21)
InChIKeyDNKJZNULHOPSPQ-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide (CID 23360842) is N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is COc1ccc2cc(CC3CC3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
The InChIKey is DNKJZNULHOPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(21)20-8-7-17-11-15(9-14-3-4-14)10-16-5-6-18(22-2)12-19(16)17/h5-6,10-12,14H,3-4,7-9H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropylmethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 23360842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).