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

C16H26N2O2 — CID 81083466

IUPAC2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2/c1-11-7-8-12(2)14(10-11)13(3)18-16(19)15(17)6-5-9-20-4/h7-8,10,13,15H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyLXMZTOWDFNFBKB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds7

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

2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide (PubChem CID 81083466) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
PubChem CID81083466
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2/c1-11-7-8-12(2)14(10-11)13(3)18-16(19)15(17)6-5-9-20-4/h7-8,10,13,15H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyLXMZTOWDFNFBKB-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
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

2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
(2S)-2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 61180108
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
3-amino-N-[1-(2,5-dimethylphenyl)ethyl]-2-methoxypropanamide
CID 106111769
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide (CID 81083466) is 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide is COCCCC(N)C(=O)NC(C)c1cc(C)ccc1C.
What is the InChIKey of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide?
The InChIKey is LXMZTOWDFNFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-8-12(2)14(10-11)13(3)18-16(19)15(17)6-5-9-20-4/h7-8,10,13,15H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide?
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.23, 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-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81083466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).