1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide

C23H37N5O3 — CID 23940878

IUPAC1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(CCN2CCOCC2)Cc2ccccc2C)CC1C(=O)NCCN
InChIInChI=1S/C23H37N5O3/c1-18-5-3-4-6-20(18)16-27(10-9-26-11-13-31-14-12-26)21-15-22(23(30)25-8-7-24)28(17-21)19(2)29/h3-6,21-22H,7-17,24H2,1-2H3,(H,25,30)
InChIKeyBEKUUVSZOYSXES-UHFFFAOYSA-N
MW431.58 g/mol
LogP0.19
Rot. Bonds9

About 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide

1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23940878) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
PubChem CID23940878
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC Name1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(CCN2CCOCC2)Cc2ccccc2C)CC1C(=O)NCCN
InChIInChI=1S/C23H37N5O3/c1-18-5-3-4-6-20(18)16-27(10-9-26-11-13-31-14-12-26)21-15-22(23(30)25-8-7-24)28(17-21)19(2)29/h3-6,21-22H,7-17,24H2,1-2H3,(H,25,30)
InChIKeyBEKUUVSZOYSXES-UHFFFAOYSA-N
XLogP0.19
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide (CID 23940878) is 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide is CC(=O)N1CC(N(CCN2CCOCC2)Cc2ccccc2C)CC1C(=O)NCCN.
What is the InChIKey of 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is BEKUUVSZOYSXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O3/c1-18-5-3-4-6-20(18)16-27(10-9-26-11-13-31-14-12-26)21-15-22(23(30)25-8-7-24)28(17-21)19(2)29/h3-6,21-22H,7-17,24H2,1-2H3,(H,25,30).
What are the key properties of 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide?
1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23940878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).