N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide

C16H23N3O — CID 43295810

IUPACN-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O/c1-4-13(2)12-19(3)10-9-16(20)18-15-8-6-5-7-14(15)11-17/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)
InChIKeyQWKWERYOKKFUCG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds7

About N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide

N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide (PubChem CID 43295810) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
PubChem CID43295810
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O/c1-4-13(2)12-19(3)10-9-16(20)18-15-8-6-5-7-14(15)11-17/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20)
InChIKeyQWKWERYOKKFUCG-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

3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
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CID 63694009
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
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N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide (CID 43295810) is N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide is CCC(C)CN(C)CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
The InChIKey is QWKWERYOKKFUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-13(2)12-19(3)10-9-16(20)18-15-8-6-5-7-14(15)11-17/h5-8,13H,4,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide?
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)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-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 43295810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).