2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide

C19H23ClN2O4 — CID 119122685

IUPAC2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNC(C)Cc2ccc(O)cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H23ClN2O4/c1-12(7-13-3-5-15(23)6-4-13)22-10-14-8-16(20)19(17(9-14)25-2)26-11-18(21)24/h3-6,8-9,12,22-23H,7,10-11H2,1-2H3,(H2,21,24)
InChIKeyDGPWSEOIGGJEFZ-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.64
Rot. Bonds9

About 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide (PubChem CID 119122685) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide
PubChem CID119122685
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNC(C)Cc2ccc(O)cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H23ClN2O4/c1-12(7-13-3-5-15(23)6-4-13)22-10-14-8-16(20)19(17(9-14)25-2)26-11-18(21)24/h3-6,8-9,12,22-23H,7,10-11H2,1-2H3,(H2,21,24)
InChIKeyDGPWSEOIGGJEFZ-UHFFFAOYSA-N
XLogP2.64
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol
CID 119122214
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
CID 119934631
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 834045
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-6-methoxy-4-[[(1-methylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 119113223

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide (CID 119122685) is 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide is COc1cc(CNC(C)Cc2ccc(O)cc2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is DGPWSEOIGGJEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-12(7-13-3-5-15(23)6-4-13)22-10-14-8-16(20)19(17(9-14)25-2)26-11-18(21)24/h3-6,8-9,12,22-23H,7,10-11H2,1-2H3,(H2,21,24).
What are the key properties of 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 378.86 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 119122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).