4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide

C15H24N2O2 — CID 66233795

IUPAC4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1OCCC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)8-9-19-13-10-11(16)6-7-12(13)14(18)17(4)5/h6-7,10H,8-9,16H2,1-5H3
InChIKeyIJHLLMAEFIPIBE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds4

About 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide

4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide (PubChem CID 66233795) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
PubChem CID66233795
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1OCCC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)8-9-19-13-10-11(16)6-7-12(13)14(18)17(4)5/h6-7,10H,8-9,16H2,1-5H3
InChIKeyIJHLLMAEFIPIBE-UHFFFAOYSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
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

methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836
4-amino-2-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79679565
4-(3,3-dimethylbutoxy)-3-iodoaniline
CID 66233111
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
CID 134821730
1-[4-bromo-2-(3,3-dimethylbutoxy)phenyl]ethanone
CID 82971528
4-amino-2-(3-methylsulfanylpropoxy)benzoic acid
CID 106954863
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
4-amino-2-(3,5-dimethylcyclohexyl)oxy-N,N-dimethylbenzamide
CID 64730373
4-amino-2-(2-tert-butylsulfonylethoxy)benzoic acid
CID 106954839
methyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 67283586

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide (CID 66233795) is 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)cc1OCCC(C)(C)C.
What is the InChIKey of 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide?
The InChIKey is IJHLLMAEFIPIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)8-9-19-13-10-11(16)6-7-12(13)14(18)17(4)5/h6-7,10H,8-9,16H2,1-5H3.
What are the key properties of 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide?
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 66233795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).