[(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate

C24H29N3O5 — CID 90120435

IUPAC[(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate
SMILESCCOc1cc(Oc2ccc(NC(=O)[C@](CC)(OC(N)=O)C(C)(C)C)cc2)ccc1C#N
InChIInChI=1S/C24H29N3O5/c1-6-24(23(3,4)5,32-22(26)29)21(28)27-17-9-12-18(13-10-17)31-19-11-8-16(15-25)20(14-19)30-7-2/h8-14H,6-7H2,1-5H3,(H2,26,29)(H,27,28)/t24-/m0/s1
InChIKeyUDZGPPLJGOASGD-DEOSSOPVSA-N
MW439.51 g/mol
LogP4.98
Rot. Bonds8

About [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate

[(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate (PubChem CID 90120435) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate
PubChem CID90120435
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name[(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate
SMILESCCOc1cc(Oc2ccc(NC(=O)[C@](CC)(OC(N)=O)C(C)(C)C)cc2)ccc1C#N
InChIInChI=1S/C24H29N3O5/c1-6-24(23(3,4)5,32-22(26)29)21(28)27-17-9-12-18(13-10-17)31-19-11-8-16(15-25)20(14-19)30-7-2/h8-14H,6-7H2,1-5H3,(H2,26,29)(H,27,28)/t24-/m0/s1
InChIKeyUDZGPPLJGOASGD-DEOSSOPVSA-N
XLogP4.98
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate with MolForge

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Related Compounds

N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
2-(2,2-dimethylbutoxy)-4-ethoxybenzonitrile
CID 170603623
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
4-(3,4-dicyanophenoxy)-N-[4-[[4-(3,4-dicyanophenoxy)benzoyl]amino]phenyl]benzamide
CID 10886540
4-(3-ethoxy-4-nitrophenoxy)benzamide
CID 133425253
4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
CID 70975984
3-(4-acetamidophenoxy)-N-(4-cyano-3-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 143036854
(2R)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759539
tert-butyl N-[4-[(2S)-3-(4-cyano-3-iodoanilino)-2-hydroxy-2-methyl-3-oxopropoxy]phenyl]carbamate
CID 102352611
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-ethylphenoxy)-2-hydroxy-2-methylpropanamide
CID 166112142

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate?
The IUPAC name of [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate (CID 90120435) is [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate.
What is the SMILES notation for [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate?
The canonical SMILES for [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate is CCOc1cc(Oc2ccc(NC(=O)[C@](CC)(OC(N)=O)C(C)(C)C)cc2)ccc1C#N.
What is the InChIKey of [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate?
The InChIKey is UDZGPPLJGOASGD-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-6-24(23(3,4)5,32-22(26)29)21(28)27-17-9-12-18(13-10-17)31-19-11-8-16(15-25)20(14-19)30-7-2/h8-14H,6-7H2,1-5H3,(H2,26,29)(H,27,28)/t24-/m0/s1.
What are the key properties of [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate?
[(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate has a molecular weight of 439.51 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(4-cyano-3-ethoxyphenoxy)phenyl]carbamoyl]-2,2-dimethylpentan-3-yl] carbamate is sourced from PubChem (CID 90120435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).