2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

C14H21ClN2O3 — CID 103914300

IUPAC2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCC(C)C(NCC(O)COc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C14H21ClN2O3/c1-9(2)13(14(16)19)17-7-11(18)8-20-12-5-3-4-10(15)6-12/h3-6,9,11,13,17-18H,7-8H2,1-2H3,(H2,16,19)
InChIKeyPRXJPDYQEUEAKR-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.18
Rot. Bonds8

About 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide (PubChem CID 103914300) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
PubChem CID103914300
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCC(C)C(NCC(O)COc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C14H21ClN2O3/c1-9(2)13(14(16)19)17-7-11(18)8-20-12-5-3-4-10(15)6-12/h3-6,9,11,13,17-18H,7-8H2,1-2H3,(H2,16,19)
InChIKeyPRXJPDYQEUEAKR-UHFFFAOYSA-N
XLogP1.18
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
CID 103108426
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
ethyl 3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 15578590
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide (CID 103914300) is 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide is CC(C)C(NCC(O)COc1cccc(Cl)c1)C(N)=O.
What is the InChIKey of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
The InChIKey is PRXJPDYQEUEAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)13(14(16)19)17-7-11(18)8-20-12-5-3-4-10(15)6-12/h3-6,9,11,13,17-18H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide?
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide has a molecular weight of 300.79 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide is sourced from PubChem (CID 103914300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).