[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium

C14H21BrN3O2+ — CID 9263277

IUPAC[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)NC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-3-12(10-5-7-11(15)8-6-10)17-9-13(19)18-14(20)16-4-2/h5-8,12,17H,3-4,9H2,1-2H3,(H2,16,18,19,20)/p+1/t12-/m1/s1
InChIKeyFFMVUFIEPJKWSO-GFCCVEGCSA-O
MW343.25 g/mol
LogP1.31
Rot. Bonds6

About [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium

[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 9263277) has the molecular formula C14H21BrN3O2+ and a molecular weight of 343.25 g/mol. Its IUPAC name is [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID9263277
Molecular FormulaC14H21BrN3O2+
Molecular Weight343.25 g/mol
Exact Mass342.08
IUPAC Name[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)NC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-3-12(10-5-7-11(15)8-6-10)17-9-13(19)18-14(20)16-4-2/h5-8,12,17H,3-4,9H2,1-2H3,(H2,16,18,19,20)/p+1/t12-/m1/s1
InChIKeyFFMVUFIEPJKWSO-GFCCVEGCSA-O
XLogP1.31
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(4-bromophenyl)propyl]-[2-(butylcarbamoylamino)-2-oxoethyl]azanium
CID 8643776
[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium
CID 9263599
[(1R)-1-(4-bromophenyl)propyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9263642
[(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263413
[(1S)-1-(4-bromophenyl)propyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9263737
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
[(1R)-1-(4-bromophenyl)propyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]azanium
CID 9263710
[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8643284
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(1S)-1-(4-bromophenyl)propyl]azanium
CID 9263624
[(1R)-1-(4-bromophenyl)propyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710771
[(1S)-1-(4-bromophenyl)propyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9263465
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8643637

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium (CID 9263277) is [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium is CCNC(=O)NC(=O)C[NH2+][C@H](CC)c1ccc(Br)cc1.
What is the InChIKey of [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is FFMVUFIEPJKWSO-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-12(10-5-7-11(15)8-6-10)17-9-13(19)18-14(20)16-4-2/h5-8,12,17H,3-4,9H2,1-2H3,(H2,16,18,19,20)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 343.25 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9263277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).