(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide

C15H21BrN2O2 — CID 94215803

IUPAC(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-10(2)15(20)17-9-14(19)18-11(3)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,17,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyCVYVXLICAUEQNK-MNOVXSKESA-N
MW341.25 g/mol
LogP2.79
Rot. Bonds6

About (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide

(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide (PubChem CID 94215803) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
PubChem CID94215803
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-10(2)15(20)17-9-14(19)18-11(3)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,17,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyCVYVXLICAUEQNK-MNOVXSKESA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
(2S,3S)-2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099946
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 112992317
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide (CID 94215803) is (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)NCC(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
The InChIKey is CVYVXLICAUEQNK-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-10(2)15(20)17-9-14(19)18-11(3)12-5-7-13(16)8-6-12/h5-8,10-11H,4,9H2,1-3H3,(H,17,20)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide?
(2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide has a molecular weight of 341.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 94215803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).