2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide

C16H24BrNO2 — CID 43701721

IUPAC2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)C(Br)C(C)C
InChIInChI=1S/C16H24BrNO2/c1-10(2)15(17)16(19)18-12(5)13-8-6-7-9-14(13)20-11(3)4/h6-12,15H,1-5H3,(H,18,19)
InChIKeyUASJRFBDXDMSKV-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.07
Rot. Bonds6

About 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide

2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide (PubChem CID 43701721) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
PubChem CID43701721
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)C(Br)C(C)C
InChIInChI=1S/C16H24BrNO2/c1-10(2)15(17)16(19)18-12(5)13-8-6-7-9-14(13)20-11(3)4/h6-12,15H,1-5H3,(H,18,19)
InChIKeyUASJRFBDXDMSKV-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.07
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

2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
2-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 43701042
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
5-oxo-5-[1-(2-propan-2-yloxyphenyl)ethylamino]pentanoic acid
CID 60941628
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide?
The IUPAC name of 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide (CID 43701721) is 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide is CC(C)Oc1ccccc1C(C)NC(=O)C(Br)C(C)C.
What is the InChIKey of 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide?
The InChIKey is UASJRFBDXDMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-10(2)15(17)16(19)18-12(5)13-8-6-7-9-14(13)20-11(3)4/h6-12,15H,1-5H3,(H,18,19).
What are the key properties of 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide?
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide has a molecular weight of 342.28 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide is sourced from PubChem (CID 43701721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).