N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide

C13H18BrNO2 — CID 114307701

IUPACN-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H18BrNO2/c1-3-11(9-14)15-13(16)8-10-5-4-6-12(7-10)17-2/h4-7,11H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyLOUGIPUUGSAQDJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.53
Rot. Bonds6

About N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide

N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 114307701) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID114307701
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H18BrNO2/c1-3-11(9-14)15-13(16)8-10-5-4-6-12(7-10)17-2/h4-7,11H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyLOUGIPUUGSAQDJ-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
CID 10365607
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide (CID 114307701) is N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide is CCC(CBr)NC(=O)Cc1cccc(OC)c1.
What is the InChIKey of N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is LOUGIPUUGSAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-11(9-14)15-13(16)8-10-5-4-6-12(7-10)17-2/h4-7,11H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide?
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 114307701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).