4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide

C13H20N2O2 — CID 63358733

IUPAC4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(OC(C)(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-11-8-9(6-7-10(11)14)12(16)15(4)5/h6-8H,14H2,1-5H3
InChIKeyBHZMEXBXRYWCNC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds2

About 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide

4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 63358733) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID63358733
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(OC(C)(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-11-8-9(6-7-10(11)14)12(16)15(4)5/h6-8H,14H2,1-5H3
InChIKeyBHZMEXBXRYWCNC-UHFFFAOYSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
3-amino-4-tert-butyl-N,N-dimethylbenzamide
CID 19348783
4-amino-N,N-dimethyl-3-(1-phenylethoxy)benzamide
CID 63358467
4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
CID 64720406
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
CID 63360505
4-amino-N,N-dimethyl-3-pyridin-3-yloxybenzamide
CID 63358470
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 79770004
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide (CID 63358733) is 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide is CN(C)C(=O)c1ccc(N)c(OC(C)(C)C)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is BHZMEXBXRYWCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-11-8-9(6-7-10(11)14)12(16)15(4)5/h6-8H,14H2,1-5H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide?
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 63358733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).