(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one

C21H26N2O4 — CID 25329944

IUPAC(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C21H26N2O4/c1-15(21(24)23-12-4-5-13-23)22-16-6-11-19(26-3)20(14-16)27-18-9-7-17(25-2)8-10-18/h6-11,14-15,22H,4-5,12-13H2,1-3H3/t15-/m0/s1
InChIKeyQHMUKLXGNZFBBW-HNNXBMFYSA-N
MW370.45 g/mol
LogP3.92
Rot. Bonds7

About (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 25329944) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID25329944
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CCCC3)ccc2OC)cc1
InChIInChI=1S/C21H26N2O4/c1-15(21(24)23-12-4-5-13-23)22-16-6-11-19(26-3)20(14-16)27-18-9-7-17(25-2)8-10-18/h6-11,14-15,22H,4-5,12-13H2,1-3H3/t15-/m0/s1
InChIKeyQHMUKLXGNZFBBW-HNNXBMFYSA-N
XLogP3.92
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
CID 24624045
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
(2R)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-N-(3-methoxyphenyl)propanamide
CID 30296852
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154
N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18268062
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-(4-methoxy-3-methylanilino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 87033324
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one (CID 25329944) is (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(Oc2cc(N[C@@H](C)C(=O)N3CCCC3)ccc2OC)cc1.
What is the InChIKey of (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QHMUKLXGNZFBBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(21(24)23-12-4-5-13-23)22-16-6-11-19(26-3)20(14-16)27-18-9-7-17(25-2)8-10-18/h6-11,14-15,22H,4-5,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 370.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 25329944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).