(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone

C18H21NO3 — CID 143779063

IUPAC(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
SMILESCCOc1cc(N)c(C(=O)c2ccc(C)cc2)cc1OCC
InChIInChI=1S/C18H21NO3/c1-4-21-16-10-14(15(19)11-17(16)22-5-2)18(20)13-8-6-12(3)7-9-13/h6-11H,4-5,19H2,1-3H3
InChIKeyDQFZHNIMEPLLNC-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.61
Rot. Bonds6

About (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone

(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone (PubChem CID 143779063) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
PubChem CID143779063
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
SMILESCCOc1cc(N)c(C(=O)c2ccc(C)cc2)cc1OCC
InChIInChI=1S/C18H21NO3/c1-4-21-16-10-14(15(19)11-17(16)22-5-2)18(20)13-8-6-12(3)7-9-13/h6-11H,4-5,19H2,1-3H3
InChIKeyDQFZHNIMEPLLNC-UHFFFAOYSA-N
XLogP3.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
ethyl 3,4-diethoxybenzoate
CID 586407

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone (CID 143779063) is (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone is CCOc1cc(N)c(C(=O)c2ccc(C)cc2)cc1OCC.
What is the InChIKey of (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone?
The InChIKey is DQFZHNIMEPLLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-21-16-10-14(15(19)11-17(16)22-5-2)18(20)13-8-6-12(3)7-9-13/h6-11H,4-5,19H2,1-3H3.
What are the key properties of (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone?
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 143779063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).