N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide

C20H32N2O3 — CID 128983572

IUPACN-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@@H]1C[C@@H](CO)N(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)16-7-5-15(6-8-16)9-10-21-19(24)13-22-12-18(25-4)11-17(22)14-23/h5-8,17-18,23H,9-14H2,1-4H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyCDGPRSZGMQWVEZ-ZWKOTPCHSA-N
MW348.49 g/mol
LogP1.72
Rot. Bonds7

About N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide

N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide (PubChem CID 128983572) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
PubChem CID128983572
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
SMILESCO[C@@H]1C[C@@H](CO)N(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H32N2O3/c1-20(2,3)16-7-5-15(6-8-16)9-10-21-19(24)13-22-12-18(25-4)11-17(22)14-23/h5-8,17-18,23H,9-14H2,1-4H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyCDGPRSZGMQWVEZ-ZWKOTPCHSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide 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

2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 128982783
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406
N-[2-(2,6-dimethylphenoxy)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128983575
N-(cyclohexylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128982897
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792
N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 71941577
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 131905828
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
tert-butyl N-[2-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 91506773
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide (CID 128983572) is N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide is CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
The InChIKey is CDGPRSZGMQWVEZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,3)16-7-5-15(6-8-16)9-10-21-19(24)13-22-12-18(25-4)11-17(22)14-23/h5-8,17-18,23H,9-14H2,1-4H3,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128983572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).