3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide

C15H23BrN2O2 — CID 60682140

IUPAC3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CN(C)C)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-15(2,10-18(3)4)9-17-14(19)11-6-7-13(20-5)12(16)8-11/h6-8H,9-10H2,1-5H3,(H,17,19)
InChIKeyACLYFULLDRMAAD-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.78
Rot. Bonds6

About 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide

3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide (PubChem CID 60682140) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
PubChem CID60682140
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CN(C)C)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-15(2,10-18(3)4)9-17-14(19)11-6-7-13(20-5)12(16)8-11/h6-8H,9-10H2,1-5H3,(H,17,19)
InChIKeyACLYFULLDRMAAD-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzamide
CID 78965757
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
3-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxybenzamide
CID 114295158
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide (CID 60682140) is 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)(C)CN(C)C)cc1Br.
What is the InChIKey of 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide?
The InChIKey is ACLYFULLDRMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-15(2,10-18(3)4)9-17-14(19)11-6-7-13(20-5)12(16)8-11/h6-8H,9-10H2,1-5H3,(H,17,19).
What are the key properties of 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide?
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide has a molecular weight of 343.27 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide is sourced from PubChem (CID 60682140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).