(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone

C19H23NO5 — CID 10569527

IUPAC(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC(C)C)c(OC)cc2N)cc1OC
InChIInChI=1S/C19H23NO5/c1-11(2)25-18-9-13(14(20)10-17(18)24-5)19(21)12-6-7-15(22-3)16(8-12)23-4/h6-11H,20H2,1-5H3
InChIKeyCVZZTBDMLLPDPP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.31
Rot. Bonds7

About (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone

(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 10569527) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID10569527
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC(C)C)c(OC)cc2N)cc1OC
InChIInChI=1S/C19H23NO5/c1-11(2)25-18-9-13(14(20)10-17(18)24-5)19(21)12-6-7-15(22-3)16(8-12)23-4/h6-11H,20H2,1-5H3
InChIKeyCVZZTBDMLLPDPP-UHFFFAOYSA-N
XLogP3.31
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 22097609
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
ethyl 5-(2-amino-4-methoxy-5-propan-2-yloxybenzoyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 18697864
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone (CID 10569527) is (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(OC(C)C)c(OC)cc2N)cc1OC.
What is the InChIKey of (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is CVZZTBDMLLPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-11(2)25-18-9-13(14(20)10-17(18)24-5)19(21)12-6-7-15(22-3)16(8-12)23-4/h6-11H,20H2,1-5H3.
What are the key properties of (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone?
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 345.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 10569527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).