(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide

C20H31N3O2 — CID 124845128

IUPAC(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESC[C@H](O)[C@@H]1CCN(C(=O)NC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-15-10-18(13-23(15)12-17-6-4-3-5-7-17)11-21-20(25)22-9-8-19(14-22)16(2)24/h3-7,15-16,18-19,24H,8-14H2,1-2H3,(H,21,25)/t15-,16-,18+,19+/m0/s1
InChIKeyDLXJUSDGGGXVLH-RNIPGJKVSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds5

About (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide

(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide (PubChem CID 124845128) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
PubChem CID124845128
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESC[C@H](O)[C@@H]1CCN(C(=O)NC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O2/c1-15-10-18(13-23(15)12-17-6-4-3-5-7-17)11-21-20(25)22-9-8-19(14-22)16(2)24/h3-7,15-16,18-19,24H,8-14H2,1-2H3,(H,21,25)/t15-,16-,18+,19+/m0/s1
InChIKeyDLXJUSDGGGXVLH-RNIPGJKVSA-N
XLogP2.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide 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

1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-3,5-dihydroxybenzamide
CID 86801413
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
CID 124569518
(1-benzylpiperidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022869
1-[[(3S,5R)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]urea
CID 124841019
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide (CID 124845128) is (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide is C[C@H](O)[C@@H]1CCN(C(=O)NC[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1.
What is the InChIKey of (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is DLXJUSDGGGXVLH-RNIPGJKVSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-10-18(13-23(15)12-17-6-4-3-5-7-17)11-21-20(25)22-9-8-19(14-22)16(2)24/h3-7,15-16,18-19,24H,8-14H2,1-2H3,(H,21,25)/t15-,16-,18+,19+/m0/s1.
What are the key properties of (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide?
(3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3R,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124845128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).