N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide

C15H19N3O — CID 34232455

IUPACN-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C15H19N3O/c1-11(2)18(14-6-7-14)10-15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,10H2,1-2H3,(H,17,19)
InChIKeyXHEXANJUVMBHHK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds5

About N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide

N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide (PubChem CID 34232455) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
PubChem CID34232455
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C15H19N3O/c1-11(2)18(14-6-7-14)10-15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,10H2,1-2H3,(H,17,19)
InChIKeyXHEXANJUVMBHHK-UHFFFAOYSA-N
XLogP2.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide (CID 34232455) is N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide is CC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CC1.
What is the InChIKey of N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
The InChIKey is XHEXANJUVMBHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)18(14-6-7-14)10-15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide?
N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 34232455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).