(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

C15H22BrN3O2 — CID 9302580

IUPAC(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
SMILESCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-4-9-17-14(20)10-19(3)11(2)15(21)18-13-7-5-12(16)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyDDWPACHYFFIIRQ-NSHDSACASA-N
MW356.26 g/mol
LogP2.23
Rot. Bonds7

About (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide

(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide (PubChem CID 9302580) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
PubChem CID9302580
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
SMILESCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-4-9-17-14(20)10-19(3)11(2)15(21)18-13-7-5-12(16)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyDDWPACHYFFIIRQ-NSHDSACASA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356943
(2R)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356945
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053206
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9289300
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-N-(4-nitrophenyl)propanamide
CID 18094741
(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
CID 2555298
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 42911653
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55351143
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide (CID 9302580) is (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide is CCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
The InChIKey is DDWPACHYFFIIRQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-4-9-17-14(20)10-19(3)11(2)15(21)18-13-7-5-12(16)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide?
(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide has a molecular weight of 356.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide is sourced from PubChem (CID 9302580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).