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

C19H23NO5 — CID 11210139

IUPAC(3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(OC(C)C)c(N)c2)cc(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-11(2)25-15-7-6-12(8-14(15)20)18(21)13-9-16(22-3)19(24-5)17(10-13)23-4/h6-11H,20H2,1-5H3
InChIKeyNUCQLALRMVPXRN-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.31
Rot. Bonds7

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

(3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11210139) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11210139
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name(3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(OC(C)C)c(N)c2)cc(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-11(2)25-15-7-6-12(8-14(15)20)18(21)13-9-16(22-3)19(24-5)17(10-13)23-4/h6-11H,20H2,1-5H3
InChIKeyNUCQLALRMVPXRN-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 11210139) is (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc(OC(C)C)c(N)c2)cc(OC)c1OC.
What is the InChIKey of (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NUCQLALRMVPXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-11(2)25-15-7-6-12(8-14(15)20)18(21)13-9-16(22-3)19(24-5)17(10-13)23-4/h6-11H,20H2,1-5H3.
What are the key properties of (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)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 (3-amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11210139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).