4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide

C15H23BrN2O2 — CID 120563461

IUPAC4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)CCC(C)N
InChIInChI=1S/C15H23BrN2O2/c1-3-18(15(19)9-4-12(2)17)10-11-20-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11,17H2,1-2H3
InChIKeyKZUTYEVNMDCZEY-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.80
Rot. Bonds8

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

4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide (PubChem CID 120563461) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
PubChem CID120563461
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)CCC(C)N
InChIInChI=1S/C15H23BrN2O2/c1-3-18(15(19)9-4-12(2)17)10-11-20-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11,17H2,1-2H3
InChIKeyKZUTYEVNMDCZEY-UHFFFAOYSA-N
XLogP2.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119805687
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
4-[[2-(4-bromophenoxy)ethyl-ethylcarbamoyl]amino]butanoic acid
CID 122023110
4-[2-(4-bromophenoxy)ethylsulfonyl]butan-2-amine
CID 81193839
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
3-[2-(4-bromophenoxy)ethyl-ethylamino]butanoic acid
CID 62827483
N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
CID 167779460
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119805667

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide?
The IUPAC name of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide (CID 120563461) is 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide?
The canonical SMILES for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide is CCN(CCOc1ccc(Br)cc1)C(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide?
The InChIKey is KZUTYEVNMDCZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-18(15(19)9-4-12(2)17)10-11-20-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11,17H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide?
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide has a molecular weight of 343.26 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpentanamide is sourced from PubChem (CID 120563461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).