trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide

C21H30N2O3 — CID 133135042

IUPACtrans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide
SMILESCNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(Oc3ccccc3C)C2)C1(C)C
InChIInChI=1S/C21H30N2O3/c1-14-8-6-7-9-17(14)26-15-12-23(13-15)19(25)21(4)11-10-16(18(24)22-5)20(21,2)3/h6-9,15-16H,10-13H2,1-5H3,(H,22,24)/t16-,21+/m0/s1
InChIKeyYWXHZPSKXIAHDE-HRAATJIYSA-N
MW358.48 g/mol
LogP2.77
Rot. Bonds4

About trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide

trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide (PubChem CID 133135042) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide
PubChem CID133135042
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nametrans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide
SMILESCNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(Oc3ccccc3C)C2)C1(C)C
InChIInChI=1S/C21H30N2O3/c1-14-8-6-7-9-17(14)26-15-12-23(13-15)19(25)21(4)11-10-16(18(24)22-5)20(21,2)3/h6-9,15-16H,10-13H2,1-5H3,(H,22,24)/t16-,21+/m0/s1
InChIKeyYWXHZPSKXIAHDE-HRAATJIYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide (CID 133135042) is trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide is CNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(Oc3ccccc3C)C2)C1(C)C.
What is the InChIKey of trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide?
The InChIKey is YWXHZPSKXIAHDE-HRAATJIYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14-8-6-7-9-17(14)26-15-12-23(13-15)19(25)21(4)11-10-16(18(24)22-5)20(21,2)3/h6-9,15-16H,10-13H2,1-5H3,(H,22,24)/t16-,21+/m0/s1.
What are the key properties of trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide?
trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).