3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

C15H22N2O4 — CID 106296660

IUPAC3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESNc1cccc(OCCC(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C15H22N2O4/c16-12-2-1-3-13(10-12)21-7-4-14(19)17-15(11-18)5-8-20-9-6-15/h1-3,10,18H,4-9,11,16H2,(H,17,19)
InChIKeyDTQKGMKIDJCGNS-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.70
Rot. Bonds6

About 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (PubChem CID 106296660) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
PubChem CID106296660
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESNc1cccc(OCCC(=O)NC2(CO)CCOCC2)c1
InChIInChI=1S/C15H22N2O4/c16-12-2-1-3-13(10-12)21-7-4-14(19)17-15(11-18)5-8-20-9-6-15/h1-3,10,18H,4-9,11,16H2,(H,17,19)
InChIKeyDTQKGMKIDJCGNS-UHFFFAOYSA-N
XLogP0.70
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (CID 106296660) is 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is Nc1cccc(OCCC(=O)NC2(CO)CCOCC2)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The InChIKey is DTQKGMKIDJCGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c16-12-2-1-3-13(10-12)21-7-4-14(19)17-15(11-18)5-8-20-9-6-15/h1-3,10,18H,4-9,11,16H2,(H,17,19).
What are the key properties of 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is sourced from PubChem (CID 106296660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).