(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate

C22H29NO2 — CID 59509797

IUPAC(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
SMILESCCC(C)c1cccc(C(C)C)c1OC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-6-16(4)20-14-10-13-19(15(2)3)21(20)25-22(24)23-17(5)18-11-8-7-9-12-18/h7-17H,6H2,1-5H3,(H,23,24)/t16?,17-/m1/s1
InChIKeyNZMIYXQAXARTGH-ZYMOGRSISA-N
MW339.48 g/mol
LogP6.17
Rot. Bonds6

About (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate

(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate (PubChem CID 59509797) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Name(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
PubChem CID59509797
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
SMILESCCC(C)c1cccc(C(C)C)c1OC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-6-16(4)20-14-10-13-19(15(2)3)21(20)25-22(24)23-17(5)18-11-8-7-9-12-18/h7-17H,6H2,1-5H3,(H,23,24)/t16?,17-/m1/s1
InChIKeyNZMIYXQAXARTGH-ZYMOGRSISA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
CID 15675184
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
(2-butan-2-ylphenyl) N-methylcarbamate
CID 19588
(2-butan-2-ylphenyl) 2-(phenylmethoxycarbonylamino)propanoate
CID 141165166
butyl N-(1-phenylethyl)carbamate
CID 571821
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate
CID 101003138
[2,6-di(propan-2-yl)phenyl] 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200141
1-benzhydryl-3-(2-butan-2-ylphenyl)urea
CID 108867576
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877899

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate (CID 59509797) is (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate is CCC(C)c1cccc(C(C)C)c1OC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is NZMIYXQAXARTGH-ZYMOGRSISA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-16(4)20-14-10-13-19(15(2)3)21(20)25-22(24)23-17(5)18-11-8-7-9-12-18/h7-17H,6H2,1-5H3,(H,23,24)/t16?,17-/m1/s1.
What are the key properties of (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate?
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 339.48 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 59509797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).