(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide

C15H20BrN3O2 — CID 9053206

IUPAC(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(19(2)9-14(20)17-12-7-8-12)15(21)18-13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeySSFSTTTVZMRRLO-JTQLQIEISA-N
MW354.25 g/mol
LogP1.99
Rot. Bonds6

About (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide

(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 9053206) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID9053206
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)NC1CC1
InChIInChI=1S/C15H20BrN3O2/c1-10(19(2)9-14(20)17-12-7-8-12)15(21)18-13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeySSFSTTTVZMRRLO-JTQLQIEISA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 86907053
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053316
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302580
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 86918815
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 9053379

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide (CID 9053206) is (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide is C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)CC(=O)NC1CC1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is SSFSTTTVZMRRLO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10(19(2)9-14(20)17-12-7-8-12)15(21)18-13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
(2S)-N-(4-bromophenyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 354.25 g/mol, XLogP of 1.99, 6 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-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 9053206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).