2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide

C14H21ClN2O4 — CID 834045

IUPAC2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C14H21ClN2O4/c1-14(2,8-18)17-6-9-4-10(15)13(11(5-9)20-3)21-7-12(16)19/h4-5,17-18H,6-8H2,1-3H3,(H2,16,19)
InChIKeyOMBDPWUKEZVKLC-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.07
Rot. Bonds8

About 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide (PubChem CID 834045) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
PubChem CID834045
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C14H21ClN2O4/c1-14(2,8-18)17-6-9-4-10(15)13(11(5-9)20-3)21-7-12(16)19/h4-5,17-18H,6-8H2,1-3H3,(H2,16,19)
InChIKeyOMBDPWUKEZVKLC-UHFFFAOYSA-N
XLogP1.07
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-ethoxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 964295
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
CID 119934631

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide (CID 834045) is 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide is COc1cc(CNC(C)(C)CO)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is OMBDPWUKEZVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-14(2,8-18)17-6-9-4-10(15)13(11(5-9)20-3)21-7-12(16)19/h4-5,17-18H,6-8H2,1-3H3,(H2,16,19).
What are the key properties of 2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 316.79 g/mol, XLogP of 1.07, 8 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-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 834045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).