2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

C16H20N2O5 — CID 102076658

IUPAC2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N[C@@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C16H20N2O5/c1-11(2)14(19)23-10-9-17-16(21)18-13(15(20)22-3)12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2-3H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyWNSOILHCTOMXEV-CYBMUJFWSA-N
MW320.35 g/mol
LogP1.32
Rot. Bonds7

About 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 102076658) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID102076658
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N[C@@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C16H20N2O5/c1-11(2)14(19)23-10-9-17-16(21)18-13(15(20)22-3)12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2-3H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyWNSOILHCTOMXEV-CYBMUJFWSA-N
XLogP1.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 101255045
2-(1-naphthalen-1-ylethylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 102245385
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 66827300
(2R)-2-[2-(2-methylpropoxy)ethylcarbamoylamino]-2-phenylacetic acid
CID 103996411
2-phenyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763777
2-[[phenyl-[phenyl-(phenylcarbamoylamino)methyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 67678245
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]benzoic acid
CID 18668282
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 102076658) is 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N[C@@H](C(=O)OC)c1ccccc1.
What is the InChIKey of 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is WNSOILHCTOMXEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-11(2)14(19)23-10-9-17-16(21)18-13(15(20)22-3)12-7-5-4-6-8-12/h4-8,13H,1,9-10H2,2-3H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 320.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 102076658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).