N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide

C17H28N2O2 — CID 115902066

IUPACN-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
SMILESCCNC(=O)CCNC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-18-17(20)10-11-19-14(4)15-6-8-16(9-7-15)21-12-13(2)3/h6-9,13-14,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyAFHSNGJZRREHFJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.90
Rot. Bonds9

About N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide

N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide (PubChem CID 115902066) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
PubChem CID115902066
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
SMILESCCNC(=O)CCNC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-18-17(20)10-11-19-14(4)15-6-8-16(9-7-15)21-12-13(2)3/h6-9,13-14,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyAFHSNGJZRREHFJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 62325873
N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347490
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
N-ethyl-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112551780
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide?
The IUPAC name of N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide (CID 115902066) is N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide?
The canonical SMILES for N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide is CCNC(=O)CCNC(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide?
The InChIKey is AFHSNGJZRREHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-18-17(20)10-11-19-14(4)15-6-8-16(9-7-15)21-12-13(2)3/h6-9,13-14,19H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide?
N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide is sourced from PubChem (CID 115902066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).