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

C18H21NO6 — CID 71477284

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
SMILESCOc1ccc2cccc(CCNC(C)=O)c2c1.O=C(O)CC(=O)O
InChIInChI=1S/C15H17NO2.C3H4O4/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;4-2(5)1-3(6)7/h3-7,10H,8-9H2,1-2H3,(H,16,17);1H2,(H,4,5)(H,6,7)
InChIKeyXVIOGGMRSBUQTR-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.07
Rot. Bonds6

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

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid (PubChem CID 71477284) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
PubChem CID71477284
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
SMILESCOc1ccc2cccc(CCNC(C)=O)c2c1.O=C(O)CC(=O)O
InChIInChI=1S/C15H17NO2.C3H4O4/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;4-2(5)1-3(6)7/h3-7,10H,8-9H2,1-2H3,(H,16,17);1H2,(H,4,5)(H,6,7)
InChIKeyXVIOGGMRSBUQTR-UHFFFAOYSA-N
XLogP2.07
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
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;propanedioic acid?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid (CID 71477284) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid is COc1ccc2cccc(CCNC(C)=O)c2c1.O=C(O)CC(=O)O.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid?
The InChIKey is XVIOGGMRSBUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C3H4O4/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;4-2(5)1-3(6)7/h3-7,10H,8-9H2,1-2H3,(H,16,17);1H2,(H,4,5)(H,6,7).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid has a molecular weight of 347.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 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;propanedioic acid is sourced from PubChem (CID 71477284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).