2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide

C15H22F2N2O2 — CID 81071463

IUPAC2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C(N)CCCOC
InChIInChI=1S/C15H22F2N2O2/c1-3-19(15(20)14(18)5-4-8-21-2)10-11-6-7-12(16)13(17)9-11/h6-7,9,14H,3-5,8,10,18H2,1-2H3
InChIKeyZGPKCXIQAYYPDW-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.07
Rot. Bonds8

About 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide

2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide (PubChem CID 81071463) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
PubChem CID81071463
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C(N)CCCOC
InChIInChI=1S/C15H22F2N2O2/c1-3-19(15(20)14(18)5-4-8-21-2)10-11-6-7-12(16)13(17)9-11/h6-7,9,14H,3-5,8,10,18H2,1-2H3
InChIKeyZGPKCXIQAYYPDW-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
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-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071356
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
CID 81087999
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide (CID 81071463) is 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide is CCN(Cc1ccc(F)c(F)c1)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide?
The InChIKey is ZGPKCXIQAYYPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-19(15(20)14(18)5-4-8-21-2)10-11-6-7-12(16)13(17)9-11/h6-7,9,14H,3-5,8,10,18H2,1-2H3.
What are the key properties of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide?
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide has a molecular weight of 300.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide is sourced from PubChem (CID 81071463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).