dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate

C34H31NO4 — CID 102204031

IUPACdinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C34H31NO4/c1-34(2,3)39-33(37)35-30(25-15-5-4-6-16-25)32(36)38-31(28-21-11-17-23-13-7-9-19-26(23)28)29-22-12-18-24-14-8-10-20-27(24)29/h4-22,30-31H,1-3H3,(H,35,37)/t30-/m1/s1
InChIKeyACWKLLMJGZDBHL-SSEXGKCCSA-N
MW517.63 g/mol
LogP7.89
Rot. Bonds6

About dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate

dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate (PubChem CID 102204031) has the molecular formula C34H31NO4 and a molecular weight of 517.63 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
PubChem CID102204031
Molecular FormulaC34H31NO4
Molecular Weight517.63 g/mol
Exact Mass517.23
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
SMILESCC(C)(C)OC(=O)N[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C34H31NO4/c1-34(2,3)39-33(37)35-30(25-15-5-4-6-16-25)32(36)38-31(28-21-11-17-23-13-7-9-19-26(23)28)29-22-12-18-24-14-8-10-20-27(24)29/h4-22,30-31H,1-3H3,(H,35,37)/t30-/m1/s1
InChIKeyACWKLLMJGZDBHL-SSEXGKCCSA-N
XLogP7.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176246
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
CID 7176242
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
diethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-1-ylmethyl]propanedioate
CID 11611380
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
phenylmethoxycarbonyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 46946616
icosyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 171611758

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate (CID 102204031) is dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate is CC(C)(C)OC(=O)N[C@@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate?
The InChIKey is ACWKLLMJGZDBHL-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H31NO4/c1-34(2,3)39-33(37)35-30(25-15-5-4-6-16-25)32(36)38-31(28-21-11-17-23-13-7-9-19-26(23)28)29-22-12-18-24-14-8-10-20-27(24)29/h4-22,30-31H,1-3H3,(H,35,37)/t30-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate?
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate has a molecular weight of 517.63 g/mol, XLogP of 7.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate is sourced from PubChem (CID 102204031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).