N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide

C24H29N3O2 — CID 11014664

IUPACN-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)
InChIKeyUVEOJKYLXAKLAV-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.96
Rot. Bonds7

About N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide

N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide (PubChem CID 11014664) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide
PubChem CID11014664
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide
SMILESCC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)
InChIKeyUVEOJKYLXAKLAV-UHFFFAOYSA-N
XLogP3.96
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide (CID 11014664) is N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide is CC(C)CC(C(=O)NCC#N)c1cccc(-c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
The InChIKey is UVEOJKYLXAKLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28).
What are the key properties of N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide has a molecular weight of 391.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide is sourced from PubChem (CID 11014664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).