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

C15H24N2O3 — CID 115941779

IUPAC4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(OCCOC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-9-8-19-13-10-11(6-7-12(13)16)14(18)17(4)5/h6-7,10H,8-9,16H2,1-5H3
InChIKeyKZLJPOQQWAJNKN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.16
Rot. Bonds5

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

4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide (PubChem CID 115941779) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
PubChem CID115941779
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(OCCOC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-9-8-19-13-10-11(6-7-12(13)16)14(18)17(4)5/h6-7,10H,8-9,16H2,1-5H3
InChIKeyKZLJPOQQWAJNKN-UHFFFAOYSA-N
XLogP2.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941798
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
ethyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 115942374
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
4-amino-3-(4,4-dimethylpentoxy)benzoic acid
CID 114209628

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide (CID 115941779) is 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide is CN(C)C(=O)c1ccc(N)c(OCCOC(C)(C)C)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
The InChIKey is KZLJPOQQWAJNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-9-8-19-13-10-11(6-7-12(13)16)14(18)17(4)5/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide?
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide is sourced from PubChem (CID 115941779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).