N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide

C20H24N2O — CID 95217230

IUPACN-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCN(Cc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16(23)21-13-17-11-12-22(14-17)15-19-9-5-6-10-20(19)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyZUCFRPAHJCSHTK-KRWDZBQOSA-N
MW308.43 g/mol
LogP3.31
Rot. Bonds5

About N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 95217230) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID95217230
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCN(Cc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16(23)21-13-17-11-12-22(14-17)15-19-9-5-6-10-20(19)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyZUCFRPAHJCSHTK-KRWDZBQOSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[1-[[4-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 70774921
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-[[1-[(3-amino-2-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 102736075
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 95217230) is N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCN(Cc2ccccc2-c2ccccc2)C1.
What is the InChIKey of N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is ZUCFRPAHJCSHTK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(23)21-13-17-11-12-22(14-17)15-19-9-5-6-10-20(19)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95217230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).