4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide

C15H22N2O4 — CID 66250431

IUPAC4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2(C)COCC2N)c1
InChIInChI=1S/C15H22N2O4/c1-15(10-20-9-13(15)16)14(18)17-11-4-3-5-12(8-11)21-7-6-19-2/h3-5,8,13H,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyHPYXBSNVFHRZKW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.01
Rot. Bonds6

About 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide

4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide (PubChem CID 66250431) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
PubChem CID66250431
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2(C)COCC2N)c1
InChIInChI=1S/C15H22N2O4/c1-15(10-20-9-13(15)16)14(18)17-11-4-3-5-12(8-11)21-7-6-19-2/h3-5,8,13H,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyHPYXBSNVFHRZKW-UHFFFAOYSA-N
XLogP1.01
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
4-amino-N-[(3-ethoxyphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 66250428
4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
CID 66251010
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688696
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide (CID 66250431) is 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide is COCCOc1cccc(NC(=O)C2(C)COCC2N)c1.
What is the InChIKey of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is HPYXBSNVFHRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(10-20-9-13(15)16)14(18)17-11-4-3-5-12(8-11)21-7-6-19-2/h3-5,8,13H,6-7,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).