(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide

C18H22N4O2 — CID 8975064

IUPAC(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCn1cccc1[C@H]1CCCN1[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-21-11-5-9-14(21)15-10-6-12-22(15)16(17(23)20-18(19)24)13-7-3-2-4-8-13/h2-5,7-9,11,15-16H,6,10,12H2,1H3,(H3,19,20,23,24)/t15-,16+/m1/s1
InChIKeyBHERPUBYBOKHML-CVEARBPZSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds4

About (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide

(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 8975064) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
PubChem CID8975064
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCn1cccc1[C@H]1CCCN1[C@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-21-11-5-9-14(21)15-10-6-12-22(15)16(17(23)20-18(19)24)13-7-3-2-4-8-13/h2-5,7-9,11,15-16H,6,10,12H2,1H3,(H3,19,20,23,24)/t15-,16+/m1/s1
InChIKeyBHERPUBYBOKHML-CVEARBPZSA-N
XLogP2.10
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060
(2S)-N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 11935248
(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452155
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 11935296
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
CID 102206721
(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51730149
(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 11924002
N-carbamoyl-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643095
(2S)-2-phenyl-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610209
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 11933910

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide (CID 8975064) is (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide is Cn1cccc1[C@H]1CCCN1[C@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is BHERPUBYBOKHML-CVEARBPZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-11-5-9-14(21)15-10-6-12-22(15)16(17(23)20-18(19)24)13-7-3-2-4-8-13/h2-5,7-9,11,15-16H,6,10,12H2,1H3,(H3,19,20,23,24)/t15-,16+/m1/s1.
What are the key properties of (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide?
(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 8975064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).