N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide

C19H23N3O — CID 120762205

IUPACN-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C19H23N3O/c1-14(23)21-17-9-5-6-15(10-17)11-22-12-18(19(20)13-22)16-7-3-2-4-8-16/h2-10,18-19H,11-13,20H2,1H3,(H,21,23)/t18-,19+/m0/s1
InChIKeyVAHVHJFVPIOPAA-RBUKOAKNSA-N
MW309.41 g/mol
LogP2.57
Rot. Bonds4

About N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide

N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 120762205) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID120762205
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C19H23N3O/c1-14(23)21-17-9-5-6-15(10-17)11-22-12-18(19(20)13-22)16-7-3-2-4-8-16/h2-10,18-19H,11-13,20H2,1H3,(H,21,23)/t18-,19+/m0/s1
InChIKeyVAHVHJFVPIOPAA-RBUKOAKNSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide (CID 120762205) is N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is VAHVHJFVPIOPAA-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(23)21-17-9-5-6-15(10-17)11-22-12-18(19(20)13-22)16-7-3-2-4-8-16/h2-10,18-19H,11-13,20H2,1H3,(H,21,23)/t18-,19+/m0/s1.
What are the key properties of N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 120762205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).