N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide

C18H21N3O4 — CID 119529406

IUPACN-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide
SMILESNC(CNC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)c1ccccc1
InChIInChI=1S/C18H21N3O4/c19-11(10-4-2-1-3-5-10)8-20-14(22)9-21-17(23)15-12-6-7-13(25-12)16(15)18(21)24/h1-5,11-13,15-16H,6-9,19H2,(H,20,22)
InChIKeyCTEPEYKJSAOJTL-UHFFFAOYSA-N
MW343.38 g/mol
LogP-0.04
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide

N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide (PubChem CID 119529406) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide
PubChem CID119529406
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide
SMILESNC(CNC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)c1ccccc1
InChIInChI=1S/C18H21N3O4/c19-11(10-4-2-1-3-5-10)8-20-14(22)9-21-17(23)15-12-6-7-13(25-12)16(15)18(21)24/h1-5,11-13,15-16H,6-9,19H2,(H,20,22)
InChIKeyCTEPEYKJSAOJTL-UHFFFAOYSA-N
XLogP-0.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-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

N-(2-amino-2-phenylethyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
CID 119528784
(2S)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetyl]amino]-2-phenylacetic acid
CID 119372320
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120832567
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N-ethylacetamide
CID 131971495
N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119528686
2-[(3aR,4S,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]acetic acid
CID 27507291
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide (CID 119529406) is N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide is NC(CNC(=O)CN1C(=O)C2C3CCC(O3)C2C1=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide?
The InChIKey is CTEPEYKJSAOJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c19-11(10-4-2-1-3-5-10)8-20-14(22)9-21-17(23)15-12-6-7-13(25-12)16(15)18(21)24/h1-5,11-13,15-16H,6-9,19H2,(H,20,22).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide?
N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide is sourced from PubChem (CID 119529406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).