N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide

C16H23N3O — CID 43273712

IUPACN-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(C#N)cc1)CC(C)C
InChIInChI=1S/C16H23N3O/c1-4-19(12-13(2)3)10-9-16(20)18-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)
InChIKeyRBPPWCMYKGVKRX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds7

About N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide

N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide (PubChem CID 43273712) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
PubChem CID43273712
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(C#N)cc1)CC(C)C
InChIInChI=1S/C16H23N3O/c1-4-19(12-13(2)3)10-9-16(20)18-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)
InChIKeyRBPPWCMYKGVKRX-UHFFFAOYSA-N
XLogP2.86
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
CID 107398731
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
N-(4-cyanophenyl)pentanamide
CID 2162994
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide (CID 43273712) is N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide is CCN(CCC(=O)Nc1ccc(C#N)cc1)CC(C)C.
What is the InChIKey of N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
The InChIKey is RBPPWCMYKGVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(12-13(2)3)10-9-16(20)18-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43273712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).