[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone

C18H21NO3 — CID 154112052

IUPAC[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone
SMILESCOc1cc(NC(C)C)c(C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H21NO3/c1-12(2)19-15-11-17(22-4)16(21-3)10-14(15)18(20)13-8-6-5-7-9-13/h5-12,19H,1-4H3
InChIKeyWHYZQJNTUMMIHM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.76
Rot. Bonds6

About [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone

[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone (PubChem CID 154112052) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone
PubChem CID154112052
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone
SMILESCOc1cc(NC(C)C)c(C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H21NO3/c1-12(2)19-15-11-17(22-4)16(21-3)10-14(15)18(20)13-8-6-5-7-9-13/h5-12,19H,1-4H3
InChIKeyWHYZQJNTUMMIHM-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
(2-benzoyl-4,5-dimethoxyphenyl) propanoate
CID 69459736
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide
CID 168650887
N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone?
The IUPAC name of [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone (CID 154112052) is [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone?
The canonical SMILES for [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone is COc1cc(NC(C)C)c(C(=O)c2ccccc2)cc1OC.
What is the InChIKey of [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone?
The InChIKey is WHYZQJNTUMMIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)19-15-11-17(22-4)16(21-3)10-14(15)18(20)13-8-6-5-7-9-13/h5-12,19H,1-4H3.
What are the key properties of [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone?
[4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone has a molecular weight of 299.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(propan-2-ylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 154112052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).