2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide

C15H23ClN2O3 — CID 119317523

IUPAC2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Cl)ccc1OCCOCC
InChIInChI=1S/C15H23ClN2O3/c1-3-5-12(17)15(19)18-13-10-11(16)6-7-14(13)21-9-8-20-4-2/h6-7,10,12H,3-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyJFFRWMJWVZUUSP-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.82
Rot. Bonds9

About 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide

2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide (PubChem CID 119317523) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
PubChem CID119317523
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cc(Cl)ccc1OCCOCC
InChIInChI=1S/C15H23ClN2O3/c1-3-5-12(17)15(19)18-13-10-11(16)6-7-14(13)21-9-8-20-4-2/h6-7,10,12H,3-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyJFFRWMJWVZUUSP-UHFFFAOYSA-N
XLogP2.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
CID 61180506
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
CID 119306648
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide (CID 119317523) is 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide is CCCC(N)C(=O)Nc1cc(Cl)ccc1OCCOCC.
What is the InChIKey of 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide?
The InChIKey is JFFRWMJWVZUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-3-5-12(17)15(19)18-13-10-11(16)6-7-14(13)21-9-8-20-4-2/h6-7,10,12H,3-5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide?
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide has a molecular weight of 314.81 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide is sourced from PubChem (CID 119317523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).