ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate

C20H24N2O6 — CID 30343450

IUPACethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(O[C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H24N2O6/c1-5-27-20(24)22-14-7-6-8-16(9-14)28-13(2)19(23)21-15-10-17(25-3)12-18(11-15)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyPANYPZHAWHVMNG-CYBMUJFWSA-N
MW388.42 g/mol
LogP3.68
Rot. Bonds8

About ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate

ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate (PubChem CID 30343450) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
PubChem CID30343450
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Nameethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
SMILESCCOC(=O)Nc1cccc(O[C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H24N2O6/c1-5-27-20(24)22-14-7-6-8-16(9-14)28-13(2)19(23)21-15-10-17(25-3)12-18(11-15)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyPANYPZHAWHVMNG-CYBMUJFWSA-N
XLogP3.68
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate (CID 30343450) is ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate is CCOC(=O)Nc1cccc(O[C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
The InChIKey is PANYPZHAWHVMNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-5-27-20(24)22-14-7-6-8-16(9-14)28-13(2)19(23)21-15-10-17(25-3)12-18(11-15)26-4/h6-13H,5H2,1-4H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate?
ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate has a molecular weight of 388.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate is sourced from PubChem (CID 30343450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).