2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide

C12H17ClN2O3 — CID 54938620

IUPAC2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESCC(NCC(O)COc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C12H17ClN2O3/c1-8(12(14)17)15-6-10(16)7-18-11-4-2-9(13)3-5-11/h2-5,8,10,15-16H,6-7H2,1H3,(H2,14,17)
InChIKeyHKKRCBWKXKLDQU-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.54
Rot. Bonds7

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

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide (PubChem CID 54938620) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
PubChem CID54938620
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
SMILESCC(NCC(O)COc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C12H17ClN2O3/c1-8(12(14)17)15-6-10(16)7-18-11-4-2-9(13)3-5-11/h2-5,8,10,15-16H,6-7H2,1H3,(H2,14,17)
InChIKeyHKKRCBWKXKLDQU-UHFFFAOYSA-N
XLogP0.54
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
1-(but-3-yn-2-ylamino)-3-(4-chlorophenoxy)propan-2-ol
CID 114416810
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propane-1,3-diol
CID 65314255
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(4-chlorophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635716
(2S)-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutanamide
CID 111544161
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
1-(4-chlorophenoxy)-3-(octan-4-ylamino)propan-2-ol
CID 106024294
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide?
The IUPAC name of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide (CID 54938620) is 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide.
What is the SMILES notation for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide?
The canonical SMILES for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide is CC(NCC(O)COc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide?
The InChIKey is HKKRCBWKXKLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-8(12(14)17)15-6-10(16)7-18-11-4-2-9(13)3-5-11/h2-5,8,10,15-16H,6-7H2,1H3,(H2,14,17).
What are the key properties of 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide?
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide has a molecular weight of 272.73 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide is sourced from PubChem (CID 54938620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).