3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide

C16H26N2O2 — CID 65488019

IUPAC3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
SMILESCCNCCC(=O)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-17-11-10-16(19)18(3)13(2)12-14-8-6-7-9-15(14)20-4/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyOQINXONXDTWWKY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds8

About 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide

3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide (PubChem CID 65488019) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
PubChem CID65488019
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
SMILESCCNCCC(=O)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-17-11-10-16(19)18(3)13(2)12-14-8-6-7-9-15(14)20-4/h6-9,13,17H,5,10-12H2,1-4H3
InChIKeyOQINXONXDTWWKY-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide (CID 65488019) is 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide is CCNCCC(=O)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
The InChIKey is OQINXONXDTWWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-17-11-10-16(19)18(3)13(2)12-14-8-6-7-9-15(14)20-4/h6-9,13,17H,5,10-12H2,1-4H3.
What are the key properties of 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 65488019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).