(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide

C19H26N2O4 — CID 98182993

IUPAC(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-12(2)8-9-25-13(3)18(23)20-16-6-4-14(5-7-16)10-15-11-17(22)21-19(15)24/h4-7,12-13,15H,8-11H2,1-3H3,(H,20,23)(H,21,22,24)/t13-,15+/m0/s1
InChIKeyCCSWWVWDKAIBQH-DZGCQCFKSA-N
MW346.43 g/mol
LogP2.28
Rot. Bonds8

About (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide

(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide (PubChem CID 98182993) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
PubChem CID98182993
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-12(2)8-9-25-13(3)18(23)20-16-6-4-14(5-7-16)10-15-11-17(22)21-19(15)24/h4-7,12-13,15H,8-11H2,1-3H3,(H,20,23)(H,21,22,24)/t13-,15+/m0/s1
InChIKeyCCSWWVWDKAIBQH-DZGCQCFKSA-N
XLogP2.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)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)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-methylpentanamide
CID 119798822
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-3-methylbutanamide
CID 119332298
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate
CID 166212951
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 96507817
2-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193376
N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide
CID 98182970
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
CID 56794258
N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119659302
(E)-2-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]amino]hex-4-enoic acid
CID 120693039
N-[4-[[(2R)-2-but-3-enoxypropanoyl]amino]phenyl]-3-methylbutanamide
CID 94782069
3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 71984166
(3S,4S)-1-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953280

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide?
The IUPAC name of (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide (CID 98182993) is (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide is CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1.
What is the InChIKey of (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide?
The InChIKey is CCSWWVWDKAIBQH-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)8-9-25-13(3)18(23)20-16-6-4-14(5-7-16)10-15-11-17(22)21-19(15)24/h4-7,12-13,15H,8-11H2,1-3H3,(H,20,23)(H,21,22,24)/t13-,15+/m0/s1.
What are the key properties of (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide?
(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 98182993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).