2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide

C22H30N2O3 — CID 112811608

IUPAC2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCCC(NC(C)C(=O)NCCOc1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O3/c1-5-21(18-9-11-19(26-4)12-10-18)24-17(3)22(25)23-13-14-27-20-8-6-7-16(2)15-20/h6-12,15,17,21,24H,5,13-14H2,1-4H3,(H,23,25)
InChIKeyIBKMIWJLXIXVRG-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.63
Rot. Bonds10

About 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide

2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 112811608) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID112811608
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCCC(NC(C)C(=O)NCCOc1cccc(C)c1)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O3/c1-5-21(18-9-11-19(26-4)12-10-18)24-17(3)22(25)23-13-14-27-20-8-6-7-16(2)15-20/h6-12,15,17,21,24H,5,13-14H2,1-4H3,(H,23,25)
InChIKeyIBKMIWJLXIXVRG-UHFFFAOYSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-methoxyphenyl)propylamino]-N-(2-phenylpropyl)propanamide
CID 112798795
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 112811608) is 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide is CCC(NC(C)C(=O)NCCOc1cccc(C)c1)c1ccc(OC)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is IBKMIWJLXIXVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-21(18-9-11-19(26-4)12-10-18)24-17(3)22(25)23-13-14-27-20-8-6-7-16(2)15-20/h6-12,15,17,21,24H,5,13-14H2,1-4H3,(H,23,25).
What are the key properties of 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide?
2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 370.49 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)propylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 112811608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).