methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate

C26H25NO3 — CID 67989155

IUPACmethyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-30-25(29)23(17-19-11-5-2-6-12-19)27-24(28)22-18-26(22,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3,(H,27,28)
InChIKeySPUIFFUAPWODEV-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.89
Rot. Bonds7

About methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate

methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate (PubChem CID 67989155) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate
PubChem CID67989155
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Namemethyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-30-25(29)23(17-19-11-5-2-6-12-19)27-24(28)22-18-26(22,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3,(H,27,28)
InChIKeySPUIFFUAPWODEV-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791265
methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
methyl (2S)-2-[(2-carbamoyl-2-adamantyl)amino]-3-phenylpropanoate
CID 53388213
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
methyl (2R)-2-[[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 7897072
methyl 3-[[(2S)-3-(4-aminophenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2,2-dimethylcyclobutane-1-carboxylate
CID 54232427
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate (CID 67989155) is methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate?
The InChIKey is SPUIFFUAPWODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-30-25(29)23(17-19-11-5-2-6-12-19)27-24(28)22-18-26(22,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3,(H,27,28).
What are the key properties of methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate?
methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate has a molecular weight of 399.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-diphenylcyclopropanecarbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 67989155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).