N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide

C16H17NO3 — CID 22133314

IUPACN-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(C=O)ccc(CCNC(C)=O)c2c1
InChIInChI=1S/C16H17NO3/c1-11(19)17-8-7-12-3-4-13(10-18)15-6-5-14(20-2)9-16(12)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyAAVRPFBRROXLIF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 22133314) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID22133314
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(C=O)ccc(CCNC(C)=O)c2c1
InChIInChI=1S/C16H17NO3/c1-11(19)17-8-7-12-3-4-13(10-18)15-6-5-14(20-2)9-16(12)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyAAVRPFBRROXLIF-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 22133314) is N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2c(C=O)ccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is AAVRPFBRROXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(19)17-8-7-12-3-4-13(10-18)15-6-5-14(20-2)9-16(12)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formyl-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 22133314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).