(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide

C24H26N2O5 — CID 30296852

IUPAC(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1ccc(Oc2cc(N[C@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1
InChIInChI=1S/C24H26N2O5/c1-16(24(27)26-17-6-5-7-21(14-17)29-3)25-18-8-13-22(30-4)23(15-18)31-20-11-9-19(28-2)10-12-20/h5-16,25H,1-4H3,(H,26,27)/t16-/m1/s1
InChIKeyLEZPXJQRSVCXIZ-MRXNPFEDSA-N
MW422.48 g/mol
LogP4.94
Rot. Bonds9

About (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide

(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide (PubChem CID 30296852) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
PubChem CID30296852
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1ccc(Oc2cc(N[C@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1
InChIInChI=1S/C24H26N2O5/c1-16(24(27)26-17-6-5-7-21(14-17)29-3)25-18-8-13-22(30-4)23(15-18)31-20-11-9-19(28-2)10-12-20/h5-16,25H,1-4H3,(H,26,27)/t16-/m1/s1
InChIKeyLEZPXJQRSVCXIZ-MRXNPFEDSA-N
XLogP4.94
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
CID 134032594
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18268062
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide (CID 30296852) is (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide is COc1ccc(Oc2cc(N[C@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1.
What is the InChIKey of (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is LEZPXJQRSVCXIZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-16(24(27)26-17-6-5-7-21(14-17)29-3)25-18-8-13-22(30-4)23(15-18)31-20-11-9-19(28-2)10-12-20/h5-16,25H,1-4H3,(H,26,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide?
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 422.48 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 30296852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).