2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide

C20H26N2O5 — CID 69199785

IUPAC2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
SMILESCOc1ccc(COc2ccc(C(=O)N(C)C)c(OC[C@H](O)CN)c2)cc1
InChIInChI=1S/C20H26N2O5/c1-22(2)20(24)18-9-8-17(10-19(18)27-13-15(23)11-21)26-12-14-4-6-16(25-3)7-5-14/h4-10,15,23H,11-13,21H2,1-3H3/t15-/m1/s1
InChIKeyKDVIRLUURITJNG-OAHLLOKOSA-N
MW374.44 g/mol
LogP1.67
Rot. Bonds9

About 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide

2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide (PubChem CID 69199785) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
PubChem CID69199785
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
SMILESCOc1ccc(COc2ccc(C(=O)N(C)C)c(OC[C@H](O)CN)c2)cc1
InChIInChI=1S/C20H26N2O5/c1-22(2)20(24)18-9-8-17(10-19(18)27-13-15(23)11-21)26-12-14-4-6-16(25-3)7-5-14/h4-10,15,23H,11-13,21H2,1-3H3/t15-/m1/s1
InChIKeyKDVIRLUURITJNG-OAHLLOKOSA-N
XLogP1.67
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 126484430
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
8-[(3,5-dimethoxyphenyl)methoxy]-N,N-dimethylnaphthalene-1-carboxamide
CID 20651875
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide (CID 69199785) is 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide is COc1ccc(COc2ccc(C(=O)N(C)C)c(OC[C@H](O)CN)c2)cc1.
What is the InChIKey of 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
The InChIKey is KDVIRLUURITJNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-22(2)20(24)18-9-8-17(10-19(18)27-13-15(23)11-21)26-12-14-4-6-16(25-3)7-5-14/h4-10,15,23H,11-13,21H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-amino-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 69199785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).