1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate

C16H22N2O5 — CID 47076060

IUPAC1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NCCC(=O)OC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H22N2O5/c1-4-22-16(21)17-9-8-15(20)23-11(2)13-6-5-7-14(10-13)18-12(3)19/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeySBXNROQHEBSXPY-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.39
Rot. Bonds7

About 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate

1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate (PubChem CID 47076060) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate
PubChem CID47076060
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NCCC(=O)OC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H22N2O5/c1-4-22-16(21)17-9-8-15(20)23-11(2)13-6-5-7-14(10-13)18-12(3)19/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeySBXNROQHEBSXPY-UHFFFAOYSA-N
XLogP2.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-acetamidophenyl)ethyl 8-oxononanoate
CID 75456297
[(1R)-1-(3-chlorophenyl)-2-methoxy-2-oxoethyl] 3-(ethoxycarbonylamino)propanoate
CID 95626444
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
bis[1-[3-(prop-2-enoxycarbonylamino)phenyl]ethyl] carbonate
CID 139741048
1-(3-acetamidophenyl)ethyl 2-phenylsulfanylpropanoate
CID 86825391
1-phenylethyl 3-anilinopropanoate
CID 61277472
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734361
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
1-(3-acetamidophenyl)ethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 75395078

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate?
The IUPAC name of 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate (CID 47076060) is 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate?
The canonical SMILES for 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate is CCOC(=O)NCCC(=O)OC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate?
The InChIKey is SBXNROQHEBSXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-22-16(21)17-9-8-15(20)23-11(2)13-6-5-7-14(10-13)18-12(3)19/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate?
1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate has a molecular weight of 322.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)ethyl 3-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 47076060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).