ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate

C19H20N4O4 — CID 141042281

IUPACethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate
SMILES[H]/N=N/C(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)OCC)cc1
InChIInChI=1S/C19H20N4O4/c1-2-27-18(25)16(12-13-6-4-3-5-7-13)22-19(26)21-15-10-8-14(9-11-15)17(24)23-20/h3-11,16,20H,2,12H2,1H3,(H2,21,22,26)/b23-20+
InChIKeyMOGPTBSLPJEZIF-BSYVCWPDSA-N
MW368.39 g/mol
LogP3.15
Rot. Bonds7

About ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate

ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate (PubChem CID 141042281) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate
PubChem CID141042281
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate
SMILES[H]/N=N/C(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)OCC)cc1
InChIInChI=1S/C19H20N4O4/c1-2-27-18(25)16(12-13-6-4-3-5-7-13)22-19(26)21-15-10-8-14(9-11-15)17(24)23-20/h3-11,16,20H,2,12H2,1H3,(H2,21,22,26)/b23-20+
InChIKeyMOGPTBSLPJEZIF-BSYVCWPDSA-N
XLogP3.15
TPSA120.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[4-[N-(1-amino-2-methylpropan-2-yl)oxycarbonyl-C-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl]phenyl]carbamoylamino]-3-phenylpropanoate
CID 173131450
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
ethyl 2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate;ethyl 2-[(3-fluoro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 158489629
ethyl 2-[(2,4-dihydroxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 69009769
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 7112317
ethyl 2-[(3,4-difluoro-2-hydroxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 69009368
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate (CID 141042281) is ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate is [H]/N=N/C(=O)c1ccc(NC(=O)NC(Cc2ccccc2)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate?
The InChIKey is MOGPTBSLPJEZIF-BSYVCWPDSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-27-18(25)16(12-13-6-4-3-5-7-13)22-19(26)21-15-10-8-14(9-11-15)17(24)23-20/h3-11,16,20H,2,12H2,1H3,(H2,21,22,26)/b23-20+.
What are the key properties of ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate?
ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate has a molecular weight of 368.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(diazenecarbonyl)phenyl]carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 141042281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).