methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate

C16H24N2O3 — CID 103241769

IUPACmethyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
SMILESCCc1ccc(C(C)NCC(NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C16H24N2O3/c1-5-13-6-8-14(9-7-13)11(2)17-10-15(16(20)21-4)18-12(3)19/h6-9,11,15,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyIYBPBUOMKSNTPO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds7

About methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate

methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate (PubChem CID 103241769) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
PubChem CID103241769
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
SMILESCCc1ccc(C(C)NCC(NC(C)=O)C(=O)OC)cc1
InChIInChI=1S/C16H24N2O3/c1-5-13-6-8-14(9-7-13)11(2)17-10-15(16(20)21-4)18-12(3)19/h6-9,11,15,17H,5,10H2,1-4H3,(H,18,19)
InChIKeyIYBPBUOMKSNTPO-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[1-(4-ethylphenyl)ethylamino]methyl]benzoate
CID 119137995
methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
methyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-methylpropanoate
CID 81351963
methyl 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-methylpropanoate
CID 81354159
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071
methyl 3-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81359899
methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568
2-acetamido-3-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoic acid
CID 81359901
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate
CID 103246122
methyl 2-acetamido-3-(1-thiophen-3-ylpropan-2-ylamino)propanoate
CID 103246488
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate (CID 103241769) is methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate is CCc1ccc(C(C)NCC(NC(C)=O)C(=O)OC)cc1.
What is the InChIKey of methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate?
The InChIKey is IYBPBUOMKSNTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-13-6-8-14(9-7-13)11(2)17-10-15(16(20)21-4)18-12(3)19/h6-9,11,15,17H,5,10H2,1-4H3,(H,18,19).
What are the key properties of methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate?
methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate has a molecular weight of 292.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate is sourced from PubChem (CID 103241769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).