N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide

C18H22N2O3 — CID 71227732

IUPACN-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
SMILESCOc1ccc2cccc(CCN(C(C)=O)C(=O)C(C)N)c2c1
InChIInChI=1S/C18H22N2O3/c1-12(19)18(22)20(13(2)21)10-9-15-6-4-5-14-7-8-16(23-3)11-17(14)15/h4-8,11-12H,9-10,19H2,1-3H3
InChIKeyUAMFFFDXWZBFOL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.11
Rot. Bonds5

About N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide

N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide (PubChem CID 71227732) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
PubChem CID71227732
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide
SMILESCOc1ccc2cccc(CCN(C(C)=O)C(=O)C(C)N)c2c1
InChIInChI=1S/C18H22N2O3/c1-12(19)18(22)20(13(2)21)10-9-15-6-4-5-14-7-8-16(23-3)11-17(14)15/h4-8,11-12H,9-10,19H2,1-3H3
InChIKeyUAMFFFDXWZBFOL-UHFFFAOYSA-N
XLogP2.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
N-(tert-butylsulfamoyl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 71227478
N-acetyl-1-cyclohexyl-N-[2-(7-methoxynaphthalen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 71227579
N,N-diethyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 170604527
1-O-[1-[acetyl-[2-(7-methoxynaphthalen-1-yl)ethyl]carbamoyl]oxyethyl] 5-O-(1-acetyloxy-3-ethanethioyloxypropan-2-yl) 3-methylpentanedioate
CID 177154328
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
CID 177154324
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
1-O-[[acetyl-[2-(7-methoxynaphthalen-1-yl)ethyl]carbamoyl]oxymethyl] 8-O-(1-acetyloxy-3-methoxypropan-2-yl) 3,3,6,6-tetramethyloctanedioate
CID 177154352
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
CID 19696840

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide?
The IUPAC name of N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide (CID 71227732) is N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide.
What is the SMILES notation for N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide?
The canonical SMILES for N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide is COc1ccc2cccc(CCN(C(C)=O)C(=O)C(C)N)c2c1.
What is the InChIKey of N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide?
The InChIKey is UAMFFFDXWZBFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(19)18(22)20(13(2)21)10-9-15-6-4-5-14-7-8-16(23-3)11-17(14)15/h4-8,11-12H,9-10,19H2,1-3H3.
What are the key properties of N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide?
N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-amino-N-[2-(7-methoxynaphthalen-1-yl)ethyl]propanamide is sourced from PubChem (CID 71227732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).