(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C24H31N3O — CID 52523009

IUPAC(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1CN1CCCC1)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C24H31N3O/c28-24(23(27-16-8-9-17-27)20-10-2-1-3-11-20)25-18-21-12-4-5-13-22(21)19-26-14-6-7-15-26/h1-5,10-13,23H,6-9,14-19H2,(H,25,28)/t23-/m0/s1
InChIKeyVHTWCYYQGPTSKS-QHCPKHFHSA-N
MW377.53 g/mol
LogP3.74
Rot. Bonds7

About (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 52523009) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID52523009
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1CN1CCCC1)[C@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C24H31N3O/c28-24(23(27-16-8-9-17-27)20-10-2-1-3-11-20)25-18-21-12-4-5-13-22(21)19-26-14-6-7-15-26/h1-5,10-13,23H,6-9,14-19H2,(H,25,28)/t23-/m0/s1
InChIKeyVHTWCYYQGPTSKS-QHCPKHFHSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylacetamide
CID 56505304
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 46673701
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 125072960
(2S)-2-amino-3,3-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836532
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 52523009) is (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(NCc1ccccc1CN1CCCC1)[C@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VHTWCYYQGPTSKS-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(23(27-16-8-9-17-27)20-10-2-1-3-11-20)25-18-21-12-4-5-13-22(21)19-26-14-6-7-15-26/h1-5,10-13,23H,6-9,14-19H2,(H,25,28)/t23-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 377.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 52523009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).