2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide

C19H24N2O3 — CID 110006577

IUPAC2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(NCc2ccc(CO)cc2)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-14-4-9-17(18(10-14)24-13-19(23)21(2)3)20-11-15-5-7-16(12-22)8-6-15/h4-10,20,22H,11-13H2,1-3H3
InChIKeyDQVHIILEPMVERF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.57
Rot. Bonds7

About 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide

2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 110006577) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
PubChem CID110006577
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCc1ccc(NCc2ccc(CO)cc2)c(OCC(=O)N(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-14-4-9-17(18(10-14)24-13-19(23)21(2)3)20-11-15-5-7-16(12-22)8-6-15/h4-10,20,22H,11-13H2,1-3H3
InChIKeyDQVHIILEPMVERF-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2H-indazol-3-ylmethylamino)-5-methylphenoxy]-N,N-dimethylacetamide
CID 166195593
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
CID 52506239
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
CID 94796559
2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 71913381
2-[2-(dimethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82910026
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide (CID 110006577) is 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide is Cc1ccc(NCc2ccc(CO)cc2)c(OCC(=O)N(C)C)c1.
What is the InChIKey of 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is DQVHIILEPMVERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-4-9-17(18(10-14)24-13-19(23)21(2)3)20-11-15-5-7-16(12-22)8-6-15/h4-10,20,22H,11-13H2,1-3H3.
What are the key properties of 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide?
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 328.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 110006577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).