N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide

C14H21BrN2O2 — CID 80670757

IUPACN-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide
SMILESCOCC(Br)CN(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H21BrN2O2/c1-16(2)13-7-5-6-11(8-13)14(18)17(3)9-12(15)10-19-4/h5-8,12H,9-10H2,1-4H3
InChIKeyYHCNHGLYQJRLFM-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.23
Rot. Bonds6

About N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide

N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide (PubChem CID 80670757) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide
PubChem CID80670757
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide
SMILESCOCC(Br)CN(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H21BrN2O2/c1-16(2)13-7-5-6-11(8-13)14(18)17(3)9-12(15)10-19-4/h5-8,12H,9-10H2,1-4H3
InChIKeyYHCNHGLYQJRLFM-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
N-(2-bromo-3-methoxypropyl)-N,4-dimethylbenzamide
CID 80671004
N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide
CID 80671670
N-(2-bromo-3-methoxypropyl)-N,2,3-trimethylbenzamide
CID 80671445
N-(2-bromo-3-methoxypropyl)-N-methylpyridazine-4-carboxamide
CID 104672547
N-(2-bromo-3-methoxypropyl)-N,2-dimethylbenzamide
CID 80670784
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 80671538
N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide (CID 80670757) is N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide is COCC(Br)CN(C)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is YHCNHGLYQJRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-16(2)13-7-5-6-11(8-13)14(18)17(3)9-12(15)10-19-4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide?
N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 80670757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).