N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide

C13H17BrN2O3 — CID 97253044

IUPACN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide
SMILESCOC[C@@H](NC(=O)c1cc(C)c(Br)cc1C)C(N)=O
InChIInChI=1S/C13H17BrN2O3/c1-7-5-10(14)8(2)4-9(7)13(18)16-11(6-19-3)12(15)17/h4-5,11H,6H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyKVLXBQJIHAJZEP-LLVKDONJSA-N
MW329.19 g/mol
LogP1.30
Rot. Bonds5

About N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide

N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide (PubChem CID 97253044) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide
PubChem CID97253044
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide
SMILESCOC[C@@H](NC(=O)c1cc(C)c(Br)cc1C)C(N)=O
InChIInChI=1S/C13H17BrN2O3/c1-7-5-10(14)8(2)4-9(7)13(18)16-11(6-19-3)12(15)17/h4-5,11H,6H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m1/s1
InChIKeyKVLXBQJIHAJZEP-LLVKDONJSA-N
XLogP1.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 144777996
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143460357
methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
CID 97340531
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
CID 75448580
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide
CID 75391958
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-methoxypropanoate
CID 59949158
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302
methyl 2-[(4-bromo-3,5-dimethylbenzoyl)amino]-4-methoxybutanoate
CID 20624200
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide?
The IUPAC name of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide (CID 97253044) is N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide?
The canonical SMILES for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide is COC[C@@H](NC(=O)c1cc(C)c(Br)cc1C)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide?
The InChIKey is KVLXBQJIHAJZEP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-7-5-10(14)8(2)4-9(7)13(18)16-11(6-19-3)12(15)17/h4-5,11H,6H2,1-3H3,(H2,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide?
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide has a molecular weight of 329.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide is sourced from PubChem (CID 97253044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).