2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C24H31N3O2 — CID 23594222

IUPAC2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
InChIKeyNKSBRGGYTJJURD-HSZRJFAPSA-N
MW393.53 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 23594222) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID23594222
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1
InChIKeyNKSBRGGYTJJURD-HSZRJFAPSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 23594222) is 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is CC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is NKSBRGGYTJJURD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1.
What are the key properties of 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 23594222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).