2-[(4-ethoxyphenyl)methylamino]butyl acetate

C15H23NO3 — CID 82533219

IUPAC2-[(4-ethoxyphenyl)methylamino]butyl acetate
SMILESCCOc1ccc(CNC(CC)COC(C)=O)cc1
InChIInChI=1S/C15H23NO3/c1-4-14(11-19-12(3)17)16-10-13-6-8-15(9-7-13)18-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyYWUQIFANHVUMNQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds8

About 2-[(4-ethoxyphenyl)methylamino]butyl acetate

2-[(4-ethoxyphenyl)methylamino]butyl acetate (PubChem CID 82533219) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylamino]butyl acetate.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylamino]butyl acetate
PubChem CID82533219
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(4-ethoxyphenyl)methylamino]butyl acetate
SMILESCCOc1ccc(CNC(CC)COC(C)=O)cc1
InChIInChI=1S/C15H23NO3/c1-4-14(11-19-12(3)17)16-10-13-6-8-15(9-7-13)18-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyYWUQIFANHVUMNQ-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylamino]butyl acetate
CID 82533309
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
CID 115644676
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
[(2S,3S,4S)-2,3,4-triacetyloxy-5-(4-ethoxyanilino)-5-oxopentyl] acetate
CID 98342150
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306
2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide
CID 70155786
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 115240669
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylamino]butyl acetate?
The IUPAC name of 2-[(4-ethoxyphenyl)methylamino]butyl acetate (CID 82533219) is 2-[(4-ethoxyphenyl)methylamino]butyl acetate.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylamino]butyl acetate?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylamino]butyl acetate is CCOc1ccc(CNC(CC)COC(C)=O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylamino]butyl acetate?
The InChIKey is YWUQIFANHVUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-14(11-19-12(3)17)16-10-13-6-8-15(9-7-13)18-5-2/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)methylamino]butyl acetate?
2-[(4-ethoxyphenyl)methylamino]butyl acetate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylamino]butyl acetate is sourced from PubChem (CID 82533219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).