3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide

C13H19ClN2O4 — CID 106174960

IUPAC3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O4/c14-10-3-1-9(2-4-10)7-20-8-11(17)5-16-6-12(18)13(15)19/h1-4,11-12,16-18H,5-8H2,(H2,15,19)
InChIKeyULMSXSZVKPHOBA-UHFFFAOYSA-N
MW302.76 g/mol
LogP-0.35
Rot. Bonds9

About 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide

3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide (PubChem CID 106174960) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
PubChem CID106174960
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC Name3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O4/c14-10-3-1-9(2-4-10)7-20-8-11(17)5-16-6-12(18)13(15)19/h1-4,11-12,16-18H,5-8H2,(H2,15,19)
InChIKeyULMSXSZVKPHOBA-UHFFFAOYSA-N
XLogP-0.35
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
4-[2-[[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]benzenesulfonamide
CID 39915403
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174321
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 61464816
1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 3682063
4-[[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381101
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide (CID 106174960) is 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNCC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide?
The InChIKey is ULMSXSZVKPHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c14-10-3-1-9(2-4-10)7-20-8-11(17)5-16-6-12(18)13(15)19/h1-4,11-12,16-18H,5-8H2,(H2,15,19).
What are the key properties of 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide?
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide has a molecular weight of 302.76 g/mol, XLogP of -0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).