(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide

C15H21BrN2O2 — CID 94033059

IUPAC(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide
SMILESCCC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-5-14(18-11(3)19)15(20)17-10(2)12-6-8-13(16)9-7-12/h6-10,14H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t10-,14+/m1/s1
InChIKeyINKMDWXSGGMFIU-YGRLFVJLSA-N
MW341.25 g/mol
LogP2.93
Rot. Bonds6

About (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide

(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide (PubChem CID 94033059) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide
PubChem CID94033059
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide
SMILESCCC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-5-14(18-11(3)19)15(20)17-10(2)12-6-8-13(16)9-7-12/h6-10,14H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t10-,14+/m1/s1
InChIKeyINKMDWXSGGMFIU-YGRLFVJLSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-acetamido-3-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoic acid
CID 81359901
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
3-(4-bromophenyl)-3-(2-methylpentanoylamino)propanoic acid
CID 119188774
6-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylheptanamide
CID 81358955
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 94215803
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3-dimethylbutanamide
CID 103930283
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
CID 7218963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide (CID 94033059) is (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide is CCC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide?
The InChIKey is INKMDWXSGGMFIU-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-5-14(18-11(3)19)15(20)17-10(2)12-6-8-13(16)9-7-12/h6-10,14H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide?
(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide has a molecular weight of 341.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide is sourced from PubChem (CID 94033059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).