methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate

C25H24N2O3 — CID 69430531

IUPACmethyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate
SMILESCOC(=O)C=CC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-30-24(28)17-16-23(18-19-8-4-2-5-9-19)27-25(29)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-17,23H,18H2,1H3,(H2,26,27,29)
InChIKeyNWNRFVTYUUELKA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.82
Rot. Bonds7

About methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate

methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate (PubChem CID 69430531) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate.

Molecular Properties

Compound Namemethyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate
PubChem CID69430531
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Namemethyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate
SMILESCOC(=O)C=CC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-30-24(28)17-16-23(18-19-8-4-2-5-9-19)27-25(29)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-17,23H,18H2,1H3,(H2,26,27,29)
InChIKeyNWNRFVTYUUELKA-UHFFFAOYSA-N
XLogP4.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-N-[2-(ethylamino)ethyl]-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enamide
CID 71199240
(E)-N-[3-(methylamino)propyl]-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enamide
CID 143047127
(E,4S)-N-[3-(diethylamino)propyl]-5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enamide
CID 11214170
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
CID 69430453
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
(E,4S)-N-[2-(ethylamino)ethyl]-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenylpent-2-enamide
CID 11271401
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoate
CID 10023609
(E,4S)-N-(3-iodopropyl)-4-[(4-phenoxyphenyl)carbamoylamino]-5-phenylpent-2-enamide
CID 70338444
benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate
CID 177455806
ethyl (E)-5-phenyl-4-[[3-phenyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoyl]amino]pent-2-enoate
CID 162533829
methyl (2E,4E,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylhepta-2,4-dienoate
CID 10404455

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate?
The IUPAC name of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate (CID 69430531) is methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate.
What is the SMILES notation for methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate?
The canonical SMILES for methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate is COC(=O)C=CC(Cc1ccccc1)NC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate?
The InChIKey is NWNRFVTYUUELKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-30-24(28)17-16-23(18-19-8-4-2-5-9-19)27-25(29)26-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-17,23H,18H2,1H3,(H2,26,27,29).
What are the key properties of methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate?
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate has a molecular weight of 400.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pent-2-enoate is sourced from PubChem (CID 69430531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).