2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide

C24H34N2O4 — CID 21119889

IUPAC2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCCCOc1ccc(OCC(=O)N(CCN(C)C)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C24H34N2O4/c1-5-6-16-29-21-10-12-22(13-11-21)30-19-24(27)26(15-14-25(2)3)18-20-8-7-9-23(17-20)28-4/h7-13,17H,5-6,14-16,18-19H2,1-4H3
InChIKeyTUXZFNUOOIWXFD-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.84
Rot. Bonds13

About 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 21119889) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID21119889
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCCCOc1ccc(OCC(=O)N(CCN(C)C)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C24H34N2O4/c1-5-6-16-29-21-10-12-22(13-11-21)30-19-24(27)26(15-14-25(2)3)18-20-8-7-9-23(17-20)28-4/h7-13,17H,5-6,14-16,18-19H2,1-4H3
InChIKeyTUXZFNUOOIWXFD-UHFFFAOYSA-N
XLogP3.84
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 21119882
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132710477
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
(2R)-N-butyl-2-[(3-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100706391
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 21119889) is 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide is CCCCOc1ccc(OCC(=O)N(CCN(C)C)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is TUXZFNUOOIWXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-5-6-16-29-21-10-12-22(13-11-21)30-19-24(27)26(15-14-25(2)3)18-20-8-7-9-23(17-20)28-4/h7-13,17H,5-6,14-16,18-19H2,1-4H3.
What are the key properties of 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 3.84, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 21119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).