3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide

C12H16Cl2N2O3 — CID 54938626

IUPAC3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESNC(=O)CCNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3/c13-8-1-2-11(10(14)5-8)19-7-9(17)6-16-4-3-12(15)18/h1-2,5,9,16-17H,3-4,6-7H2,(H2,15,18)
InChIKeyYKZQRTPJEGDEHP-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.20
Rot. Bonds8

About 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide

3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 54938626) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID54938626
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESNC(=O)CCNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3/c13-8-1-2-11(10(14)5-8)19-7-9(17)6-16-4-3-12(15)18/h1-2,5,9,16-17H,3-4,6-7H2,(H2,15,18)
InChIKeyYKZQRTPJEGDEHP-UHFFFAOYSA-N
XLogP1.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106401068
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide (CID 54938626) is 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide is NC(=O)CCNCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is YKZQRTPJEGDEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c13-8-1-2-11(10(14)5-8)19-7-9(17)6-16-4-3-12(15)18/h1-2,5,9,16-17H,3-4,6-7H2,(H2,15,18).
What are the key properties of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide?
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 307.18 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 54938626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).