N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide

C19H25N3O — CID 86993417

IUPACN-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
SMILESCC(C1CC1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1
InChIInChI=1S/C19H25N3O/c1-15(16-8-9-16)22(18-10-11-18)14-19(23)21(13-5-12-20)17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-11,13-14H2,1H3
InChIKeyUUTRGLWPWOMPBM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.20
Rot. Bonds8

About N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide

N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide (PubChem CID 86993417) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
PubChem CID86993417
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide
SMILESCC(C1CC1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1
InChIInChI=1S/C19H25N3O/c1-15(16-8-9-16)22(18-10-11-18)14-19(23)21(13-5-12-20)17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-11,13-14H2,1H3
InChIKeyUUTRGLWPWOMPBM-UHFFFAOYSA-N
XLogP3.20
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide (CID 86993417) is N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide is CC(C1CC1)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide?
The InChIKey is UUTRGLWPWOMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(16-8-9-16)22(18-10-11-18)14-19(23)21(13-5-12-20)17-6-3-2-4-7-17/h2-4,6-7,15-16,18H,5,8-11,13-14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide?
N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide has a molecular weight of 311.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 86993417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).