N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide

C18H27N3O3 — CID 68621079

IUPACN-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccccc1N1CCCC1
InChIInChI=1S/C18H27N3O3/c1-13(22)19-10-16-18(24)17(23)12-21(16)11-14-6-2-3-7-15(14)20-8-4-5-9-20/h2-3,6-7,16-18,23-24H,4-5,8-12H2,1H3,(H,19,22)/t16-,17+,18-/m1/s1
InChIKeyWVANTAHIOQBCRT-FGTMMUONSA-N
MW333.43 g/mol
LogP0.33
Rot. Bonds5

About N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide

N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 68621079) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID68621079
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccccc1N1CCCC1
InChIInChI=1S/C18H27N3O3/c1-13(22)19-10-16-18(24)17(23)12-21(16)11-14-6-2-3-7-15(14)20-8-4-5-9-20/h2-3,6-7,16-18,23-24H,4-5,8-12H2,1H3,(H,19,22)/t16-,17+,18-/m1/s1
InChIKeyWVANTAHIOQBCRT-FGTMMUONSA-N
XLogP0.33
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 68621079) is N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccccc1N1CCCC1.
What is the InChIKey of N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is WVANTAHIOQBCRT-FGTMMUONSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(22)19-10-16-18(24)17(23)12-21(16)11-14-6-2-3-7-15(14)20-8-4-5-9-20/h2-3,6-7,16-18,23-24H,4-5,8-12H2,1H3,(H,19,22)/t16-,17+,18-/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide?
N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-3,4-dihydroxy-1-[(2-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 68621079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).