N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide

C16H23BrN2O2 — CID 21148317

IUPACN-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCOC(C)(C)C2)ccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-12-10-13(4-5-14(12)17)18-15(20)6-7-19-8-9-21-16(2,3)11-19/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)
InChIKeySFIMIJOUEBAZTI-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.20
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide

N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide (PubChem CID 21148317) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
PubChem CID21148317
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCOC(C)(C)C2)ccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-12-10-13(4-5-14(12)17)18-15(20)6-7-19-8-9-21-16(2,3)11-19/h4-5,10H,6-9,11H2,1-3H3,(H,18,20)
InChIKeySFIMIJOUEBAZTI-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592490
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
N-[3-(aminomethyl)phenyl]-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592491
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(4-bromo-3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47378611
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86984169
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902209

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide (CID 21148317) is N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide is Cc1cc(NC(=O)CCN2CCOC(C)(C)C2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide?
The InChIKey is SFIMIJOUEBAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-12-10-13(4-5-14(12)17)18-15(20)6-7-19-8-9-21-16(2,3)11-19/h4-5,10H,6-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide has a molecular weight of 355.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 21148317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).