4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide

C18H20N2O3 — CID 56709051

IUPAC4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
SMILESCC(Oc1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)C(N)=O
InChIInChI=1S/C18H20N2O3/c1-12(17(19)21)23-16-6-4-5-15(11-16)13-7-9-14(10-8-13)18(22)20(2)3/h4-12H,1-3H3,(H2,19,21)
InChIKeyKKSYZFPZEFACMZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.31
Rot. Bonds5

About 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide

4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide (PubChem CID 56709051) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
PubChem CID56709051
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
SMILESCC(Oc1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)C(N)=O
InChIInChI=1S/C18H20N2O3/c1-12(17(19)21)23-16-6-4-5-15(11-16)13-7-9-14(10-8-13)18(22)20(2)3/h4-12H,1-3H3,(H2,19,21)
InChIKeyKKSYZFPZEFACMZ-UHFFFAOYSA-N
XLogP2.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide
CID 121495905
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2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
CID 155917601
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
CID 56702109
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
2-(3-aminophenoxy)propanamide
CID 43115971
(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide (CID 56709051) is 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide is CC(Oc1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)C(N)=O.
What is the InChIKey of 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide?
The InChIKey is KKSYZFPZEFACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(17(19)21)23-16-6-4-5-15(11-16)13-7-9-14(10-8-13)18(22)20(2)3/h4-12H,1-3H3,(H2,19,21).
What are the key properties of 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide?
4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56709051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).