(2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide

C15H21BrN4O3 — CID 71526098

IUPAC(2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(N)=O
InChIInChI=1S/C15H21BrN4O3/c1-9(2)7-12(14(22)18-8-13(17)21)20-15(23)19-11-5-3-10(16)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H2,17,21)(H,18,22)(H2,19,20,23)/t12-/m0/s1
InChIKeyOYFVBKKHXOLILR-LBPRGKRZSA-N
MW385.26 g/mol
LogP1.59
Rot. Bonds7

About (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide

(2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide (PubChem CID 71526098) has the molecular formula C15H21BrN4O3 and a molecular weight of 385.26 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
PubChem CID71526098
Molecular FormulaC15H21BrN4O3
Molecular Weight385.26 g/mol
Exact Mass384.08
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(N)=O
InChIInChI=1S/C15H21BrN4O3/c1-9(2)7-12(14(22)18-8-13(17)21)20-15(23)19-11-5-3-10(16)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H2,17,21)(H,18,22)(H2,19,20,23)/t12-/m0/s1
InChIKeyOYFVBKKHXOLILR-LBPRGKRZSA-N
XLogP1.59
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide (CID 71526098) is (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide is CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide?
The InChIKey is OYFVBKKHXOLILR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21BrN4O3/c1-9(2)7-12(14(22)18-8-13(17)21)20-15(23)19-11-5-3-10(16)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H2,17,21)(H,18,22)(H2,19,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide?
(2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide has a molecular weight of 385.26 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide is sourced from PubChem (CID 71526098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).