2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide

C16H25BrN2O — CID 110316878

IUPAC2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-12(2)15(13-6-8-14(17)9-7-13)16(20)18-10-5-11-19(3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyQKXHLAOSDVRLFT-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.26
Rot. Bonds7

About 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide

2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide (PubChem CID 110316878) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
PubChem CID110316878
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-12(2)15(13-6-8-14(17)9-7-13)16(20)18-10-5-11-19(3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyQKXHLAOSDVRLFT-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110356855
2-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110300940
(E)-3-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-4-methylpent-2-enamide
CID 110408198
2-(4-bromophenyl)-3-methylbutanoyl chloride
CID 23465342
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110313069
3-(dimethylamino)propyl 2-(4-bromophenyl)propanoate
CID 11723132
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207821

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide (CID 110316878) is 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide is CC(C)C(C(=O)NCCCN(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide?
The InChIKey is QKXHLAOSDVRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)15(13-6-8-14(17)9-7-13)16(20)18-10-5-11-19(3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide?
2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide has a molecular weight of 341.29 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide is sourced from PubChem (CID 110316878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).