N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C18H24N2O2 — CID 119505947

IUPACN-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCNCCNC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H24N2O2/c1-4-19-9-10-20-18(21)13(2)14-5-6-16-12-17(22-3)8-7-15(16)11-14/h5-8,11-13,19H,4,9-10H2,1-3H3,(H,20,21)
InChIKeyIEQQRJGSQNRSKM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 119505947) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID119505947
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCNCCNC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H24N2O2/c1-4-19-9-10-20-18(21)13(2)14-5-6-16-12-17(22-3)8-7-15(16)11-14/h5-8,11-13,19H,4,9-10H2,1-3H3,(H,20,21)
InChIKeyIEQQRJGSQNRSKM-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
CID 70291925
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
CID 99816117
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
tert-butyl N-[6-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]hexyl]carbamate
CID 118612061
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 119505947) is N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is CCNCCNC(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is IEQQRJGSQNRSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-19-9-10-20-18(21)13(2)14-5-6-16-12-17(22-3)8-7-15(16)11-14/h5-8,11-13,19H,4,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 119505947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).