2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide

C14H20Cl2N2O2 — CID 81082315

IUPAC2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-9(11-6-5-10(15)8-12(11)16)18-14(19)13(17)4-3-7-20-2/h5-6,8-9,13H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyHNNMLZBQIWDQMO-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.92
Rot. Bonds7

About 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide

2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide (PubChem CID 81082315) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
PubChem CID81082315
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-9(11-6-5-10(15)8-12(11)16)18-14(19)13(17)4-3-7-20-2/h5-6,8-9,13H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyHNNMLZBQIWDQMO-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.92
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

(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 120985367
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
1-[1-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxypropoxy)phenyl]urea
CID 60569568
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide (CID 81082315) is 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide is COCCCC(N)C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide?
The InChIKey is HNNMLZBQIWDQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-9(11-6-5-10(15)8-12(11)16)18-14(19)13(17)4-3-7-20-2/h5-6,8-9,13H,3-4,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide?
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide has a molecular weight of 319.23 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81082315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).