(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide

C15H23BrN2O2 — CID 9001696

IUPAC(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-9(2)17-15(19)11(4)18-10(3)12-6-7-14(20-5)13(16)8-12/h6-11,18H,1-5H3,(H,17,19)/t10-,11+/m0/s1
InChIKeySKHLZBMJNCISIU-WDEREUQCSA-N
MW343.27 g/mol
LogP3.02
Rot. Bonds6

About (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide

(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide (PubChem CID 9001696) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
PubChem CID9001696
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc1Br
InChIInChI=1S/C15H23BrN2O2/c1-9(2)17-15(19)11(4)18-10(3)12-6-7-14(20-5)13(16)8-12/h6-11,18H,1-5H3,(H,17,19)/t10-,11+/m0/s1
InChIKeySKHLZBMJNCISIU-WDEREUQCSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanoyl]carbamate
CID 9001749
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
1-(4-acetylpiperazin-1-yl)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]propan-1-one
CID 86919742
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
4-[[(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanoyl]amino]benzamide
CID 9001487
(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9001411
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(cyclohexylcarbamoyl)propanamide
CID 9001543
(2R)-N-(3-acetylphenyl)-2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanamide
CID 9001274
methyl 4-[[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]propanoylamino]methyl]benzoate
CID 112807430
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide (CID 9001696) is (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide is COc1ccc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc1Br.
What is the InChIKey of (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is SKHLZBMJNCISIU-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-9(2)17-15(19)11(4)18-10(3)12-6-7-14(20-5)13(16)8-12/h6-11,18H,1-5H3,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide?
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 9001696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).