2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide

C16H23N3O2 — CID 81071356

IUPAC2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C(N)CCCOC
InChIInChI=1S/C16H23N3O2/c1-3-19(16(20)15(18)9-6-10-21-2)12-14-8-5-4-7-13(14)11-17/h4-5,7-8,15H,3,6,9-10,12,18H2,1-2H3
InChIKeyWCMHBTFFRKWGBU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.66
Rot. Bonds8

About 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide

2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide (PubChem CID 81071356) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
PubChem CID81071356
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C(N)CCCOC
InChIInChI=1S/C16H23N3O2/c1-3-19(16(20)15(18)9-6-10-21-2)12-14-8-5-4-7-13(14)11-17/h4-5,7-8,15H,3,6,9-10,12,18H2,1-2H3
InChIKeyWCMHBTFFRKWGBU-UHFFFAOYSA-N
XLogP1.66
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-2-thiophen-2-ylacetamide
CID 115286741
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071463
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81083572
3-[(2-cyanophenyl)methyl-(2-methoxyethyl)amino]propanoic acid
CID 82327928

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide (CID 81071356) is 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide is CCN(Cc1ccccc1C#N)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide?
The InChIKey is WCMHBTFFRKWGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19(16(20)15(18)9-6-10-21-2)12-14-8-5-4-7-13(14)11-17/h4-5,7-8,15H,3,6,9-10,12,18H2,1-2H3.
What are the key properties of 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide?
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide has a molecular weight of 289.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide is sourced from PubChem (CID 81071356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).