2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide

C34H36N2O6 — CID 4943546

IUPAC2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
SMILESCOc1ccccc1OC(C)C(=O)N(CCN(C(=O)C(C)Oc1ccccc1OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36N2O6/c1-25(41-31-21-13-11-19-29(31)39-3)33(37)35(27-15-7-5-8-16-27)23-24-36(28-17-9-6-10-18-28)34(38)26(2)42-32-22-14-12-20-30(32)40-4/h5-22,25-26H,23-24H2,1-4H3
InChIKeyHVDCSEGBRNHKGF-UHFFFAOYSA-N
MW568.67 g/mol
LogP6.01
Rot. Bonds13

About 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide

2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide (PubChem CID 4943546) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
PubChem CID4943546
Molecular FormulaC34H36N2O6
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC Name2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
SMILESCOc1ccccc1OC(C)C(=O)N(CCN(C(=O)C(C)Oc1ccccc1OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36N2O6/c1-25(41-31-21-13-11-19-29(31)39-3)33(37)35(27-15-7-5-8-16-27)23-24-36(28-17-9-6-10-18-28)34(38)26(2)42-32-22-14-12-20-30(32)40-4/h5-22,25-26H,23-24H2,1-4H3
InChIKeyHVDCSEGBRNHKGF-UHFFFAOYSA-N
XLogP6.01
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
CID 4817772
3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide
CID 139329282
2-chloro-N-(2-methoxyethyl)-N-phenylpropanamide
CID 23325989
4-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 8608037
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 2674350
[(2S)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 8663665
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide (CID 4943546) is 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide is COc1ccccc1OC(C)C(=O)N(CCN(C(=O)C(C)Oc1ccccc1OC)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide?
The InChIKey is HVDCSEGBRNHKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O6/c1-25(41-31-21-13-11-19-29(31)39-3)33(37)35(27-15-7-5-8-16-27)23-24-36(28-17-9-6-10-18-28)34(38)26(2)42-32-22-14-12-20-30(32)40-4/h5-22,25-26H,23-24H2,1-4H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide?
2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide has a molecular weight of 568.67 g/mol, XLogP of 6.01, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide is sourced from PubChem (CID 4943546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).