2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide

C18H23N3O4 — CID 120794532

IUPAC2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1)C1CCOCC1
InChIInChI=1S/C18H23N3O4/c19-16(12-5-7-25-8-6-12)18(24)20-14-3-1-11(2-4-14)9-13-10-15(22)21-17(13)23/h1-4,12-13,16H,5-10,19H2,(H,20,24)(H,21,22,23)
InChIKeyXFITZJOQMHUCCO-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120794532) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120794532
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1)C1CCOCC1
InChIInChI=1S/C18H23N3O4/c19-16(12-5-7-25-8-6-12)18(24)20-14-3-1-11(2-4-14)9-13-10-15(22)21-17(13)23/h1-4,12-13,16H,5-10,19H2,(H,20,24)(H,21,22,23)
InChIKeyXFITZJOQMHUCCO-UHFFFAOYSA-N
XLogP0.58
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95774368
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
CID 98182993
(1S)-2,2-dichloro-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]cyclopropane-1-carboxamide
CID 95774363
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide (CID 120794532) is 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1ccc(CC2CC(=O)NC2=O)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is XFITZJOQMHUCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c19-16(12-5-7-25-8-6-12)18(24)20-14-3-1-11(2-4-14)9-13-10-15(22)21-17(13)23/h1-4,12-13,16H,5-10,19H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120794532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).