(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide

C20H28N2O2 — CID 134831076

IUPAC(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide
SMILESO=CN1CCC[C@H]1C(=O)NC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C20H28N2O2/c23-10-22-3-1-2-18(22)19(24)21-20-7-15-12-4-11-5-13(15)17(9-20)14(6-11)16(12)8-20/h10-18H,1-9H2,(H,21,24)/t11?,12?,13?,14?,15?,16?,17?,18-,20?/m0/s1
InChIKeyACRFFHCQEHDYET-XMXKTOLRSA-N
MW328.46 g/mol
LogP2.18
Rot. Bonds3

About (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide

(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide (PubChem CID 134831076) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide
PubChem CID134831076
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide
SMILESO=CN1CCC[C@H]1C(=O)NC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C20H28N2O2/c23-10-22-3-1-2-18(22)19(24)21-20-7-15-12-4-11-5-13(15)17(9-20)14(6-11)16(12)8-20/h10-18H,1-9H2,(H,21,24)/t11?,12?,13?,14?,15?,16?,17?,18-,20?/m0/s1
InChIKeyACRFFHCQEHDYET-XMXKTOLRSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
CID 126680418
(2S)-1-formylpiperidine-2-carboxylic acid
CID 65439701
(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912781
1-formyl-N-(5-methyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 88557039
(2S)-N-(3-hydroxy-1-adamantyl)-1-methylpyrrolidine-2-carboxamide
CID 131914978
N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
CID 143544049
(2S)-N-(1-adamantyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 7405439
ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
CID 143879707
ethyl 1-formylpyrrolidine-2-carboxylate
CID 18469486
(2S)-N-(1-adamantyl)-1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxamide
CID 42063754
1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357979

Frequently Asked Questions

What is the IUPAC name of (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide (CID 134831076) is (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide is O=CN1CCC[C@H]1C(=O)NC12CC3C4CC5CC3C(C1)C(C5)C4C2.
What is the InChIKey of (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide?
The InChIKey is ACRFFHCQEHDYET-XMXKTOLRSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-10-22-3-1-2-18(22)19(24)21-20-7-15-12-4-11-5-13(15)17(9-20)14(6-11)16(12)8-20/h10-18H,1-9H2,(H,21,24)/t11?,12?,13?,14?,15?,16?,17?,18-,20?/m0/s1.
What are the key properties of (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide?
(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134831076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).