N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide

C14H19N3O3 — CID 61272179

IUPACN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
SMILESNC(=O)CN(Cc1ccccc1N)C(=O)C1CCOC1
InChIInChI=1S/C14H19N3O3/c15-12-4-2-1-3-10(12)7-17(8-13(16)18)14(19)11-5-6-20-9-11/h1-4,11H,5-9,15H2,(H2,16,18)
InChIKeySWZUIMOAIBTEOS-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.12
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide

N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide (PubChem CID 61272179) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
PubChem CID61272179
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
SMILESNC(=O)CN(Cc1ccccc1N)C(=O)C1CCOC1
InChIInChI=1S/C14H19N3O3/c15-12-4-2-1-3-10(12)7-17(8-13(16)18)14(19)11-5-6-20-9-11/h1-4,11H,5-9,15H2,(H2,16,18)
InChIKeySWZUIMOAIBTEOS-UHFFFAOYSA-N
XLogP0.12
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1,4-dioxane-2-carboxamide
CID 62798498
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
3-[(2,3-difluorophenyl)methyl-[(3S)-oxolane-3-carbonyl]amino]propanoic acid
CID 124704329
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
CID 42785999
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 95203771
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]cyclopropanecarboxamide
CID 60912130
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide (CID 61272179) is N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide is NC(=O)CN(Cc1ccccc1N)C(=O)C1CCOC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide?
The InChIKey is SWZUIMOAIBTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12-4-2-1-3-10(12)7-17(8-13(16)18)14(19)11-5-6-20-9-11/h1-4,11H,5-9,15H2,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 61272179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).