3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide

C22H27N3O2 — CID 41456553

IUPAC3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c23-21(26)13-15-25(16-18-8-3-1-4-9-18)22(27)17-24-14-7-12-20(24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,23,26)/t20-/m1/s1
InChIKeyIWZHALKNRBJJQH-HXUWFJFHSA-N
MW365.48 g/mol
LogP2.73
Rot. Bonds8

About 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide

3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide (PubChem CID 41456553) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide
PubChem CID41456553
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c23-21(26)13-15-25(16-18-8-3-1-4-9-18)22(27)17-24-14-7-12-20(24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,23,26)/t20-/m1/s1
InChIKeyIWZHALKNRBJJQH-HXUWFJFHSA-N
XLogP2.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide (CID 41456553) is 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H]1c1ccccc1.
What is the InChIKey of 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide?
The InChIKey is IWZHALKNRBJJQH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-21(26)13-15-25(16-18-8-3-1-4-9-18)22(27)17-24-14-7-12-20(24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,23,26)/t20-/m1/s1.
What are the key properties of 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide?
3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide has a molecular weight of 365.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[(2R)-2-phenylpyrrolidin-1-yl]acetyl]amino]propanamide is sourced from PubChem (CID 41456553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).