4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide

C17H24BrN3O3 — CID 17488295

IUPAC4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H24BrN3O3/c1-17(2,21-7-9-24-10-8-21)12-20-15(22)11-19-16(23)13-3-5-14(18)6-4-13/h3-6H,7-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWBXCVXNFQIQHHK-UHFFFAOYSA-N
MW398.30 g/mol
LogP1.41
Rot. Bonds6

About 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide

4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide (PubChem CID 17488295) has the molecular formula C17H24BrN3O3 and a molecular weight of 398.30 g/mol. Its IUPAC name is 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
PubChem CID17488295
Molecular FormulaC17H24BrN3O3
Molecular Weight398.30 g/mol
Exact Mass397.10
IUPAC Name4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H24BrN3O3/c1-17(2,21-7-9-24-10-8-21)12-20-15(22)11-19-16(23)13-3-5-14(18)6-4-13/h3-6H,7-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWBXCVXNFQIQHHK-UHFFFAOYSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 114371891
3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 46470982
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
3-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174010
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
CID 17476807
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide (CID 17488295) is 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide is CC(C)(CNC(=O)CNC(=O)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide?
The InChIKey is WBXCVXNFQIQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3/c1-17(2,21-7-9-24-10-8-21)12-20-15(22)11-19-16(23)13-3-5-14(18)6-4-13/h3-6H,7-12H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide has a molecular weight of 398.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17488295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).