5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide

C14H21BrN2O2 — CID 103529781

IUPAC5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
SMILESCOc1ccc(C(C)NCCCCC(N)=O)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(17-8-4-3-5-14(16)18)11-6-7-13(19-2)12(15)9-11/h6-7,9-10,17H,3-5,8H2,1-2H3,(H2,16,18)
InChIKeyYJCGRCBRZFXJCY-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.76
Rot. Bonds8

About 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide

5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide (PubChem CID 103529781) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
PubChem CID103529781
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
SMILESCOc1ccc(C(C)NCCCCC(N)=O)cc1Br
InChIInChI=1S/C14H21BrN2O2/c1-10(17-8-4-3-5-14(16)18)11-6-7-13(19-2)12(15)9-11/h6-7,9-10,17H,3-5,8H2,1-2H3,(H2,16,18)
InChIKeyYJCGRCBRZFXJCY-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821
ethyl 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butanoate
CID 60697010
2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106236290
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 61237653
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide (CID 103529781) is 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide is COc1ccc(C(C)NCCCCC(N)=O)cc1Br.
What is the InChIKey of 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide?
The InChIKey is YJCGRCBRZFXJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(17-8-4-3-5-14(16)18)11-6-7-13(19-2)12(15)9-11/h6-7,9-10,17H,3-5,8H2,1-2H3,(H2,16,18).
What are the key properties of 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide?
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide has a molecular weight of 329.24 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide is sourced from PubChem (CID 103529781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).