(2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide

C25H30N3O+ — CID 11935287

IUPAC(2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C25H29N3O/c1-19(28-18-10-16-23(28)22-15-9-17-27(22)2)25(29)26-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-9,11-15,17,19,23-24H,10,16,18H2,1-2H3,(H,26,29)/p+1/t19-,23+/m0/s1
InChIKeyBXJKCGCJXLNCFG-WMZHIEFXSA-O
MW388.54 g/mol
LogP3.04
Rot. Bonds6

About (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide

(2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide (PubChem CID 11935287) has the molecular formula C25H30N3O+ and a molecular weight of 388.54 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide
PubChem CID11935287
Molecular FormulaC25H30N3O+
Molecular Weight388.54 g/mol
Exact Mass388.24
IUPAC Name(2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C25H29N3O/c1-19(28-18-10-16-23(28)22-15-9-17-27(22)2)25(29)26-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-9,11-15,17,19,23-24H,10,16,18H2,1-2H3,(H,26,29)/p+1/t19-,23+/m0/s1
InChIKeyBXJKCGCJXLNCFG-WMZHIEFXSA-O
XLogP3.04
TPSA38.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide
CID 11944114
(2R)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 11923995
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7554365
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
ethyl (3R)-1-[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 8532130
(2S)-N-benzhydryl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9321906
(2R)-2-cyclopentyl-2-phenyl-N-[(R)-phenyl-(4-phenylphenyl)methyl]acetamide
CID 40909844
[2-(benzhydrylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284631
N-[2-(2-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide
CID 8976478
(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060
(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975064
N-benzhydryl-2-sulfanylpropanamide
CID 107022267

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide?
The IUPAC name of (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide (CID 11935287) is (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide?
The canonical SMILES for (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide is C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC[C@@H]1c1cccn1C.
What is the InChIKey of (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide?
The InChIKey is BXJKCGCJXLNCFG-WMZHIEFXSA-O. The full InChI is InChI=1S/C25H29N3O/c1-19(28-18-10-16-23(28)22-15-9-17-27(22)2)25(29)26-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-9,11-15,17,19,23-24H,10,16,18H2,1-2H3,(H,26,29)/p+1/t19-,23+/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide?
(2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide has a molecular weight of 388.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 11935287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).