(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide

C16H22BrN3O3 — CID 71526011

IUPAC(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O3/c1-10(2)8-14(15(22)18-9-11(3)21)20-16(23)19-13-6-4-12(17)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,18,22)(H2,19,20,23)/t14-/m0/s1
InChIKeyJLYOCBBJLCFPLC-AWEZNQCLSA-N
MW384.27 g/mol
LogP2.69
Rot. Bonds7

About (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide

(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide (PubChem CID 71526011) has the molecular formula C16H22BrN3O3 and a molecular weight of 384.27 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide
PubChem CID71526011
Molecular FormulaC16H22BrN3O3
Molecular Weight384.27 g/mol
Exact Mass383.08
IUPAC Name(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O3/c1-10(2)8-14(15(22)18-9-11(3)21)20-16(23)19-13-6-4-12(17)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,18,22)(H2,19,20,23)/t14-/m0/s1
InChIKeyJLYOCBBJLCFPLC-AWEZNQCLSA-N
XLogP2.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide (CID 71526011) is (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide is CC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide?
The InChIKey is JLYOCBBJLCFPLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22BrN3O3/c1-10(2)8-14(15(22)18-9-11(3)21)20-16(23)19-13-6-4-12(17)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,18,22)(H2,19,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide?
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide has a molecular weight of 384.27 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-(2-oxopropyl)pentanamide is sourced from PubChem (CID 71526011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).