N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide

C16H23N3O — CID 43269553

IUPACN-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
SMILESCCCN(C(C)C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-5-10-19(12(2)3)13(4)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,5,10H2,1-4H3,(H,18,20)
InChIKeyGVPBISIBTAHGND-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds6

About N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide

N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide (PubChem CID 43269553) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
PubChem CID43269553
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
SMILESCCCN(C(C)C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-5-10-19(12(2)3)13(4)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,5,10H2,1-4H3,(H,18,20)
InChIKeyGVPBISIBTAHGND-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63981461
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
N-(4-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479691
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide (CID 43269553) is N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide is CCCN(C(C)C)C(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide?
The InChIKey is GVPBISIBTAHGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-10-19(12(2)3)13(4)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,5,10H2,1-4H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide?
N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide has a molecular weight of 273.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide is sourced from PubChem (CID 43269553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).