2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide

C14H20BrNO2 — CID 51983578

IUPAC2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide
SMILESCOC[C@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-10(9-18-4)16-13(17)14(2,3)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyFYUAQPVEHBGDEN-JTQLQIEISA-N
MW314.22 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide

2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide (PubChem CID 51983578) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide
PubChem CID51983578
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide
SMILESCOC[C@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-10(9-18-4)16-13(17)14(2,3)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyFYUAQPVEHBGDEN-JTQLQIEISA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-methylpropanamide
CID 51983579
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-bromophenyl)-4-methoxy-3-methylbutan-2-amine
CID 115624963
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
CID 106156304
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
(2S)-3-(4-bromophenyl)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxopropanamide
CID 98449780
1-[[2-(4-bromophenyl)acetyl]amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478675
2-methoxyethyl N-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]phenyl]carbamate
CID 60586585
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide (CID 51983578) is 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide is COC[C@H](C)NC(=O)C(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide?
The InChIKey is FYUAQPVEHBGDEN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(9-18-4)16-13(17)14(2,3)11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide?
2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 314.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 51983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).