N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid

C29H31NO5 — CID 71521838

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1.COc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H17NO2.C14H14O3/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-7,10H,8-9H2,1-2H3,(H,16,17);3-9H,1-2H3,(H,15,16)/t;9-/m.0/s1
InChIKeyNBVBEYGLLPHWFH-NPULLEENSA-N
MW473.57 g/mol
LogP5.56
Rot. Bonds7

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 71521838) has the molecular formula C29H31NO5 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID71521838
Molecular FormulaC29H31NO5
Molecular Weight473.57 g/mol
Exact Mass473.22
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1.COc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H17NO2.C14H14O3/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-7,10H,8-9H2,1-2H3,(H,16,17);3-9H,1-2H3,(H,15,16)/t;9-/m.0/s1
InChIKeyNBVBEYGLLPHWFH-NPULLEENSA-N
XLogP5.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
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-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (CID 71521838) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid is COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.COc1ccc2cccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is NBVBEYGLLPHWFH-NPULLEENSA-N. The full InChI is InChI=1S/C15H17NO2.C14H14O3/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-7,10H,8-9H2,1-2H3,(H,16,17);3-9H,1-2H3,(H,15,16)/t;9-/m.0/s1.
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 473.57 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 71521838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).