N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide

C14H21BrN2O3 — CID 119625749

IUPACN-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCC(C)(C)N)cc1OC
InChIInChI=1S/C14H21BrN2O3/c1-5-20-12-10(15)6-9(7-11(12)19-4)13(18)17-8-14(2,3)16/h6-7H,5,8,16H2,1-4H3,(H,17,18)
InChIKeyRNOXNUUXBYEWQD-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.32
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide

N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide (PubChem CID 119625749) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
PubChem CID119625749
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC NameN-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCC(C)(C)N)cc1OC
InChIInChI=1S/C14H21BrN2O3/c1-5-20-12-10(15)6-9(7-11(12)19-4)13(18)17-8-14(2,3)16/h6-7H,5,8,16H2,1-4H3,(H,17,18)
InChIKeyRNOXNUUXBYEWQD-UHFFFAOYSA-N
XLogP2.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119639659
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
3-bromo-4-ethoxy-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26732731
3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide (CID 119625749) is N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NCC(C)(C)N)cc1OC.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
The InChIKey is RNOXNUUXBYEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-5-20-12-10(15)6-9(7-11(12)19-4)13(18)17-8-14(2,3)16/h6-7H,5,8,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide?
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide has a molecular weight of 345.24 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 119625749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).