2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

C15H22N2O4 — CID 114946878

IUPAC2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)COc1cccc(N)c1
InChIInChI=1S/C15H22N2O4/c1-17(11-15(19)5-7-20-8-6-15)14(18)10-21-13-4-2-3-12(16)9-13/h2-4,9,19H,5-8,10-11,16H2,1H3
InChIKeyQDQPFOONORZPKD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.65
Rot. Bonds5

About 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (PubChem CID 114946878) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
PubChem CID114946878
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)COc1cccc(N)c1
InChIInChI=1S/C15H22N2O4/c1-17(11-15(19)5-7-20-8-6-15)14(18)10-21-13-4-2-3-12(16)9-13/h2-4,9,19H,5-8,10-11,16H2,1H3
InChIKeyQDQPFOONORZPKD-UHFFFAOYSA-N
XLogP0.65
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
CID 114951541
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187365
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 61093485
2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951477
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
3-(4-aminophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950105

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (CID 114946878) is 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is CN(CC1(O)CCOCC1)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The InChIKey is QDQPFOONORZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(11-15(19)5-7-20-8-6-15)14(18)10-21-13-4-2-3-12(16)9-13/h2-4,9,19H,5-8,10-11,16H2,1H3.
What are the key properties of 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide has a molecular weight of 294.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 114946878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).