4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide

C16H23N3O2 — CID 103155115

IUPAC4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CC(CN)OC
InChIInChI=1S/C16H23N3O2/c1-3-8-19(16(20)9-15(11-18)21-2)12-14-6-4-13(10-17)5-7-14/h4-7,15H,3,8-9,11-12,18H2,1-2H3
InChIKeyWBTZDILXFLCWNZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.66
Rot. Bonds8

About 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide

4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide (PubChem CID 103155115) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
PubChem CID103155115
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CC(CN)OC
InChIInChI=1S/C16H23N3O2/c1-3-8-19(16(20)9-15(11-18)21-2)12-14-6-4-13(10-17)5-7-14/h4-7,15H,3,8-9,11-12,18H2,1-2H3
InChIKeyWBTZDILXFLCWNZ-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide?
The IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide (CID 103155115) is 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide?
The canonical SMILES for 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide?
The InChIKey is WBTZDILXFLCWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-19(16(20)9-15(11-18)21-2)12-14-6-4-13(10-17)5-7-14/h4-7,15H,3,8-9,11-12,18H2,1-2H3.
What are the key properties of 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide?
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide 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 4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide is sourced from PubChem (CID 103155115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).