4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide

C16H25BrN2O2 — CID 119329113

IUPAC4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide
SMILESCCCCOCCN(C(=O)CCCN)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-2-3-12-21-13-11-19(16(20)5-4-10-18)15-8-6-14(17)7-9-15/h6-9H,2-5,10-13,18H2,1H3
InChIKeyXWYJFMOBEUUTQW-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.34
Rot. Bonds10

About 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide

4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide (PubChem CID 119329113) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide
PubChem CID119329113
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide
SMILESCCCCOCCN(C(=O)CCCN)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-2-3-12-21-13-11-19(16(20)5-4-10-18)15-8-6-14(17)7-9-15/h6-9H,2-5,10-13,18H2,1H3
InChIKeyXWYJFMOBEUUTQW-UHFFFAOYSA-N
XLogP3.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-bromophenyl)-N-(2-butoxyethyl)-2-propan-2-ylsulfonylpropanamide
CID 95771754
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
3-(diethylamino)-N-(2-ethoxyethyl)-N-(4-methylphenyl)propanamide
CID 58662238
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
CID 176755063
4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
pentyl 5-(N-butylanilino)-5-oxopentanoate
CID 91707169
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
CID 167779460

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide?
The IUPAC name of 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide (CID 119329113) is 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide?
The canonical SMILES for 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide is CCCCOCCN(C(=O)CCCN)c1ccc(Br)cc1.
What is the InChIKey of 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide?
The InChIKey is XWYJFMOBEUUTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-2-3-12-21-13-11-19(16(20)5-4-10-18)15-8-6-14(17)7-9-15/h6-9H,2-5,10-13,18H2,1H3.
What are the key properties of 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide?
4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide has a molecular weight of 357.29 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide is sourced from PubChem (CID 119329113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).