2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide

C15H21N3O2 — CID 81083572

IUPAC2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
SMILESCOCCCC(N)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-18(15(19)14(17)7-4-8-20-2)11-13-6-3-5-12(9-13)10-16/h3,5-6,9,14H,4,7-8,11,17H2,1-2H3
InChIKeyPXZQIPUWOAXZEY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.27
Rot. Bonds7

About 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide

2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide (PubChem CID 81083572) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
PubChem CID81083572
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide
SMILESCOCCCC(N)C(=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-18(15(19)14(17)7-4-8-20-2)11-13-6-3-5-12(9-13)10-16/h3,5-6,9,14H,4,7-8,11,17H2,1-2H3
InChIKeyPXZQIPUWOAXZEY-UHFFFAOYSA-N
XLogP1.27
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.27
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-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
CID 54870529
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 65230274
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191
3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzonitrile
CID 103409783
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]benzonitrile
CID 104563017
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide?
The IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide (CID 81083572) is 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide is COCCCC(N)C(=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide?
The InChIKey is PXZQIPUWOAXZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(15(19)14(17)7-4-8-20-2)11-13-6-3-5-12(9-13)10-16/h3,5-6,9,14H,4,7-8,11,17H2,1-2H3.
What are the key properties of 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide?
2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide has a molecular weight of 275.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-cyanophenyl)methyl]-5-methoxy-N-methylpentanamide is sourced from PubChem (CID 81083572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).