7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide

C15H23BrN2O2 — CID 119757498

IUPAC7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c16-13-6-8-14(9-7-13)20-12-11-18-15(19)5-3-1-2-4-10-17/h6-9H,1-5,10-12,17H2,(H,18,19)
InChIKeyGNRCTAHYHZWWLN-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.85
Rot. Bonds10

About 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide

7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide (PubChem CID 119757498) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
PubChem CID119757498
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c16-13-6-8-14(9-7-13)20-12-11-18-15(19)5-3-1-2-4-10-17/h6-9H,1-5,10-12,17H2,(H,18,19)
InChIKeyGNRCTAHYHZWWLN-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.85
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

6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
N-[2-(7-aminoheptanoylamino)ethyl]-4-bromobenzamide
CID 119741967
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide (CID 119757498) is 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide is NCCCCCCC(=O)NCCOc1ccc(Br)cc1.
What is the InChIKey of 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide?
The InChIKey is GNRCTAHYHZWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c16-13-6-8-14(9-7-13)20-12-11-18-15(19)5-3-1-2-4-10-17/h6-9H,1-5,10-12,17H2,(H,18,19).
What are the key properties of 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide?
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide has a molecular weight of 343.26 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide is sourced from PubChem (CID 119757498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).