oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide

C21H24N2O5 — CID 171668760

IUPACoxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C19H22N2O.C2H2O4/c1-15(21-13-7-8-14-21)19(22)20-18-12-6-5-11-17(18)16-9-3-2-4-10-16;3-1(4)2(5)6/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyDCZAIHCTUUOLPZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.93
Rot. Bonds4

About oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide

oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 171668760) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Nameoxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID171668760
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Nameoxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C19H22N2O.C2H2O4/c1-15(21-13-7-8-14-21)19(22)20-18-12-6-5-11-17(18)16-9-3-2-4-10-16;3-1(4)2(5)6/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyDCZAIHCTUUOLPZ-UHFFFAOYSA-N
XLogP2.93
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(3S,4S)-4-methyl-1-[1-oxo-1-(2-phenylanilino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120956
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide
CID 55845746
(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97067590

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide (CID 171668760) is oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide is CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is DCZAIHCTUUOLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.C2H2O4/c1-15(21-13-7-8-14-21)19(22)20-18-12-6-5-11-17(18)16-9-3-2-4-10-16;3-1(4)2(5)6/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide?
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 384.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 171668760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).