2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide

C17H20BrNO — CID 43346795

IUPAC2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
SMILESCC(NC(=O)C(Br)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H20BrNO/c1-11(2)16(18)17(20)19-12(3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12,16H,1-3H3,(H,19,20)
InChIKeyALUCWNOFZCZICB-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.44
Rot. Bonds4

About 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide

2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide (PubChem CID 43346795) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
PubChem CID43346795
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
SMILESCC(NC(=O)C(Br)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H20BrNO/c1-11(2)16(18)17(20)19-12(3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12,16H,1-3H3,(H,19,20)
InChIKeyALUCWNOFZCZICB-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide?
The IUPAC name of 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide (CID 43346795) is 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide is CC(NC(=O)C(Br)C(C)C)c1cccc2ccccc12.
What is the InChIKey of 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide?
The InChIKey is ALUCWNOFZCZICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11(2)16(18)17(20)19-12(3)14-10-6-8-13-7-4-5-9-15(13)14/h4-12,16H,1-3H3,(H,19,20).
What are the key properties of 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide?
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide has a molecular weight of 334.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide is sourced from PubChem (CID 43346795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).