3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide

C19H22N2O3 — CID 121495905

IUPAC3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(-c2cccc(OC(C)C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-4-21(3)19(23)16-9-5-7-14(11-16)15-8-6-10-17(12-15)24-13(2)18(20)22/h5-13H,4H2,1-3H3,(H2,20,22)
InChIKeyNYZABWLHWUJUIN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds6

About 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide

3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide (PubChem CID 121495905) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide
PubChem CID121495905
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(-c2cccc(OC(C)C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-4-21(3)19(23)16-9-5-7-14(11-16)15-8-6-10-17(12-15)24-13(2)18(20)22/h5-13H,4H2,1-3H3,(H2,20,22)
InChIKeyNYZABWLHWUJUIN-UHFFFAOYSA-N
XLogP2.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
CID 56709051
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
CID 95188787
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
CID 56702109
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
2-(3-aminophenoxy)propanamide
CID 43115971
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129
2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
CID 155917601
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide (CID 121495905) is 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cccc(-c2cccc(OC(C)C(N)=O)c2)c1.
What is the InChIKey of 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide?
The InChIKey is NYZABWLHWUJUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-21(3)19(23)16-9-5-7-14(11-16)15-8-6-10-17(12-15)24-13(2)18(20)22/h5-13H,4H2,1-3H3,(H2,20,22).
What are the key properties of 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide?
3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 121495905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).