methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate

C28H24N2O4 — CID 149490898

IUPACmethyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H24N2O4/c1-34-27(32)25(18-19-11-12-20-7-5-6-10-23(20)17-19)30-28(33)29-24-15-13-22(14-16-24)26(31)21-8-3-2-4-9-21/h2-17,25H,18H2,1H3,(H2,29,30,33)/t25-/m1/s1
InChIKeyZFBJRZIOILRHTG-RUZDIDTESA-N
MW452.51 g/mol
LogP4.98
Rot. Bonds7

About methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate

methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate (PubChem CID 149490898) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate
PubChem CID149490898
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Namemethyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H24N2O4/c1-34-27(32)25(18-19-11-12-20-7-5-6-10-23(20)17-19)30-28(33)29-24-15-13-22(14-16-24)26(31)21-8-3-2-4-9-21/h2-17,25H,18H2,1H3,(H2,29,30,33)/t25-/m1/s1
InChIKeyZFBJRZIOILRHTG-RUZDIDTESA-N
XLogP4.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861
methyl 3-(4-acetyloxyphenyl)-2-[[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]carbamoylamino]propanoate
CID 86742139
methyl 3-naphthalen-2-yl-2-(3-naphthalen-2-ylprop-2-ynoylamino)propanoate
CID 102461690
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018457
methyl (2R)-3-(4-hydroxyphenyl)-2-[[(2R)-2-[[(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 132525825
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
methyl (2S)-3-[4-(4-benzoylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91615104
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
methyl 2-[[4-(2-naphthalen-2-ylethoxy)benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912801
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate (CID 149490898) is methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate is COC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate?
The InChIKey is ZFBJRZIOILRHTG-RUZDIDTESA-N. The full InChI is InChI=1S/C28H24N2O4/c1-34-27(32)25(18-19-11-12-20-7-5-6-10-23(20)17-19)30-28(33)29-24-15-13-22(14-16-24)26(31)21-8-3-2-4-9-21/h2-17,25H,18H2,1H3,(H2,29,30,33)/t25-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate?
methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate has a molecular weight of 452.51 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-benzoylphenyl)carbamoylamino]-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 149490898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).