2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide

C15H23ClN2O3 — CID 61464816

IUPAC2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)C(=O)N(C)C
InChIInChI=1S/C15H23ClN2O3/c1-11(15(20)18(2)3)17-8-14(19)10-21-9-12-4-6-13(16)7-5-12/h4-7,11,14,17,19H,8-10H2,1-3H3
InChIKeyNPLJKNUZRZPHGB-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.28
Rot. Bonds8

About 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide

2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide (PubChem CID 61464816) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
PubChem CID61464816
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)C(=O)N(C)C
InChIInChI=1S/C15H23ClN2O3/c1-11(15(20)18(2)3)17-8-14(19)10-21-9-12-4-6-13(16)7-5-12/h4-7,11,14,17,19H,8-10H2,1-3H3
InChIKeyNPLJKNUZRZPHGB-UHFFFAOYSA-N
XLogP1.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960
N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 3682063
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 61464733

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide (CID 61464816) is 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide is CC(NCC(O)COCc1ccc(Cl)cc1)C(=O)N(C)C.
What is the InChIKey of 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
The InChIKey is NPLJKNUZRZPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11(15(20)18(2)3)17-8-14(19)10-21-9-12-4-6-13(16)7-5-12/h4-7,11,14,17,19H,8-10H2,1-3H3.
What are the key properties of 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide?
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide has a molecular weight of 314.81 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61464816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).