(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate

C17H17NO4 — CID 890771

IUPAC(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate
SMILESCOc1cc(C(C)=O)ccc1OC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-12(19)13-9-10-15(16(11-13)21-3)22-17(20)18(2)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyZDXPICFVXZZHAI-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.53
Rot. Bonds4

About (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate

(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate (PubChem CID 890771) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate
PubChem CID890771
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate
SMILESCOc1cc(C(C)=O)ccc1OC(=O)N(C)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-12(19)13-9-10-15(16(11-13)21-3)22-17(20)18(2)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyZDXPICFVXZZHAI-UHFFFAOYSA-N
XLogP3.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356
(E)-1-(3,4-dimethoxyphenyl)-3-(3-methoxyanilino)prop-2-en-1-one
CID 1930042
(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2404472
Ethyl 4-{[3-(3,4-dimethoxyphenyl)-3-oxo-1-propen-1-yl]amino}benzoate
CID 1927302
1-(4-Phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 53383761
N,2-diethyl-N-(2-ethylphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 3243662
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 6012476
(2E)-3-[4-(dimethylamino)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10991468
(E)-3-[4-(dimethylamino)phenyl]-1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]prop-2-en-1-one
CID 44482048

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate?
The IUPAC name of (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate (CID 890771) is (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate is COc1cc(C(C)=O)ccc1OC(=O)N(C)c1ccccc1.
What is the InChIKey of (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate?
The InChIKey is ZDXPICFVXZZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(19)13-9-10-15(16(11-13)21-3)22-17(20)18(2)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate?
(4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate has a molecular weight of 299.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-2-methoxyphenyl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 890771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).