N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide

C16H23N3O — CID 63981461

IUPACN-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
SMILESCCC(C)(C)N(C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-6-16(3,4)19(5)12(2)15(20)18-14-9-7-13(11-17)8-10-14/h7-10,12H,6H2,1-5H3,(H,18,20)
InChIKeyHHJLPTRAKODGOR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds5

About N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide

N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide (PubChem CID 63981461) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
PubChem CID63981461
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
SMILESCCC(C)(C)N(C)C(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H23N3O/c1-6-16(3,4)19(5)12(2)15(20)18-14-9-7-13(11-17)8-10-14/h7-10,12H,6H2,1-5H3,(H,18,20)
InChIKeyHHJLPTRAKODGOR-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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CID 43263401
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N-(4-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
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2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
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CID 107021186
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
CID 2658774
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
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CID 63960210

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide (CID 63981461) is N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide is CCC(C)(C)N(C)C(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide?
The InChIKey is HHJLPTRAKODGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-16(3,4)19(5)12(2)15(20)18-14-9-7-13(11-17)8-10-14/h7-10,12H,6H2,1-5H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide?
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide has a molecular weight of 273.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 63981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).