ethyl 5-(4-acetamidophenyl)-5-aminopentanoate

C15H22N2O3 — CID 82367101

IUPACethyl 5-(4-acetamidophenyl)-5-aminopentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)6-4-5-14(16)12-7-9-13(10-8-12)17-11(2)18/h7-10,14H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyHNJFELHNJPEPHE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.38
Rot. Bonds7

About ethyl 5-(4-acetamidophenyl)-5-aminopentanoate

ethyl 5-(4-acetamidophenyl)-5-aminopentanoate (PubChem CID 82367101) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 5-(4-acetamidophenyl)-5-aminopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-acetamidophenyl)-5-aminopentanoate
PubChem CID82367101
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 5-(4-acetamidophenyl)-5-aminopentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)6-4-5-14(16)12-7-9-13(10-8-12)17-11(2)18/h7-10,14H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyHNJFELHNJPEPHE-UHFFFAOYSA-N
XLogP2.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S)-1,4-diaminobutyl]phenyl]acetamide
CID 171226174
ethyl 6-amino-6-(4-propan-2-ylphenyl)hexanoate
CID 61023992
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
CID 54927618
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
ethyl 4-amino-4-(4-bromophenyl)butanoate
CID 60861000
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
CID 61104183
ethyl 5-amino-5-(3-bromo-4-propoxyphenyl)pentanoate
CID 104658360
ethyl 6-amino-6-(2,3-dihydro-1H-inden-5-yl)hexanoate
CID 60860338

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-acetamidophenyl)-5-aminopentanoate?
The IUPAC name of ethyl 5-(4-acetamidophenyl)-5-aminopentanoate (CID 82367101) is ethyl 5-(4-acetamidophenyl)-5-aminopentanoate.
What is the SMILES notation for ethyl 5-(4-acetamidophenyl)-5-aminopentanoate?
The canonical SMILES for ethyl 5-(4-acetamidophenyl)-5-aminopentanoate is CCOC(=O)CCCC(N)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 5-(4-acetamidophenyl)-5-aminopentanoate?
The InChIKey is HNJFELHNJPEPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(19)6-4-5-14(16)12-7-9-13(10-8-12)17-11(2)18/h7-10,14H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of ethyl 5-(4-acetamidophenyl)-5-aminopentanoate?
ethyl 5-(4-acetamidophenyl)-5-aminopentanoate has a molecular weight of 278.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-acetamidophenyl)-5-aminopentanoate is sourced from PubChem (CID 82367101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).