N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide

C15H24N2O2 — CID 119502671

IUPACN-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCCNC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-12-19-14-7-4-13(5-8-14)6-9-15(18)17-11-10-16-2/h4-5,7-8,16H,3,6,9-12H2,1-2H3,(H,17,18)
InChIKeyMOKXSUOMOAHWFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds9

About N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide

N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide (PubChem CID 119502671) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
PubChem CID119502671
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCCNC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-12-19-14-7-4-13(5-8-14)6-9-15(18)17-11-10-16-2/h4-5,7-8,16H,3,6,9-12H2,1-2H3,(H,17,18)
InChIKeyMOKXSUOMOAHWFX-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
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

N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
2-methyl-2-[3-(4-propoxyphenyl)propanoylamino]propanoic acid
CID 119187557
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide (CID 119502671) is N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide is CCCOc1ccc(CCC(=O)NCCNC)cc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide?
The InChIKey is MOKXSUOMOAHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12-19-14-7-4-13(5-8-14)6-9-15(18)17-11-10-16-2/h4-5,7-8,16H,3,6,9-12H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide?
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 119502671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).