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

C60H68N4O8 — CID 139057200

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/4C15H17NO2/c4*1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h4*3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyDWCSXDKRPQKANX-UHFFFAOYSA-N
MW973.22 g/mol
LogP10.11
Rot. Bonds16

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

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 139057200) has the molecular formula C60H68N4O8 and a molecular weight of 973.22 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID139057200
Molecular FormulaC60H68N4O8
Molecular Weight973.22 g/mol
Exact Mass972.50
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/4C15H17NO2/c4*1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h4*3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyDWCSXDKRPQKANX-UHFFFAOYSA-N
XLogP10.11
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.22
LogP ≤ 510.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 71521838
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[1,1,2,2-tetradeuterio-2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25174420
1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea
CID 19385775

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 139057200) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is DWCSXDKRPQKANX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H17NO2/c4*1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h4*3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 973.22 g/mol, XLogP of 10.11, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 139057200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).