5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide

C15H23ClN2O2 — CID 82011724

IUPAC5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-12(11-17)6-7-15(19)18(2)8-9-20-14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyDUXZIBJONSEOMI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.55
Rot. Bonds8

About 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide

5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide (PubChem CID 82011724) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
PubChem CID82011724
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
SMILESCC(CN)CCC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-12(11-17)6-7-15(19)18(2)8-9-20-14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,17H2,1-2H3
InChIKeyDUXZIBJONSEOMI-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
CID 131936026
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
ethyl 2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetate
CID 62027570
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide (CID 82011724) is 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide is CC(CN)CCC(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
The InChIKey is DUXZIBJONSEOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-12(11-17)6-7-15(19)18(2)8-9-20-14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11,17H2,1-2H3.
What are the key properties of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide?
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide has a molecular weight of 298.81 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 82011724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).