benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate

C20H23NO3 — CID 89155610

IUPACbenzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
SMILESCC(C)c1ccc(C[C@H](C=O)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15(2)18-10-8-16(9-11-18)12-19(13-22)21-20(23)24-14-17-6-4-3-5-7-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyIFTGWJAXSDVYKF-LJQANCHMSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds7

About benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate

benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 89155610) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
PubChem CID89155610
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
SMILESCC(C)c1ccc(C[C@H](C=O)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15(2)18-10-8-16(9-11-18)12-19(13-22)21-20(23)24-14-17-6-4-3-5-7-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyIFTGWJAXSDVYKF-LJQANCHMSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]carbamate
CID 10178881
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10346223
benzyl N-[(E,2R,5R)-5-methyl-1,6-diphenylhex-3-en-2-yl]carbamate
CID 58416912
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[(2S)-1-oxo-3-[2-(2-phenylethyl)phenyl]propan-2-yl]carbamate
CID 54196079
5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 18711702
methyl 5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 138593284
benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate
CID 177455806
benzyl N-[(2R)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15296014
benzyl N-[1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]carbamate
CID 18385467
tert-butyl N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 51356831
benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 175756146

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate (CID 89155610) is benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate is CC(C)c1ccc(C[C@H](C=O)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate?
The InChIKey is IFTGWJAXSDVYKF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)18-10-8-16(9-11-18)12-19(13-22)21-20(23)24-14-17-6-4-3-5-7-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate?
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 89155610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).