2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide

C18H22N2O2 — CID 157011392

IUPAC2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide
SMILESCC(O)c1cccc(Nc2ccc(CC(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(21)15-5-4-6-17(12-15)19-16-9-7-14(8-10-16)11-18(22)20(2)3/h4-10,12-13,19,21H,11H2,1-3H3
InChIKeyKFJSMAVALSETME-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide

2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide (PubChem CID 157011392) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide
PubChem CID157011392
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide
SMILESCC(O)c1cccc(Nc2ccc(CC(=O)N(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(21)15-5-4-6-17(12-15)19-16-9-7-14(8-10-16)11-18(22)20(2)3/h4-10,12-13,19,21H,11H2,1-3H3
InChIKeyKFJSMAVALSETME-UHFFFAOYSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[2-(dimethylamino)-2-oxoethyl]anilino]benzoate
CID 157018002
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N,N-dimethyl-2-[4-(pentan-3-ylamino)phenyl]acetamide
CID 43720783
N,N-dimethyl-2-[4-[(3-methylcinnolin-5-yl)amino]phenyl]acetamide
CID 157020250
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
N,N-dimethyl-2-[4-[(3-methylbenzimidazol-5-yl)amino]phenyl]acetamide
CID 157016920
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
CID 43915005

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide (CID 157011392) is 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide is CC(O)c1cccc(Nc2ccc(CC(=O)N(C)C)cc2)c1.
What is the InChIKey of 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide?
The InChIKey is KFJSMAVALSETME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(21)15-5-4-6-17(12-15)19-16-9-7-14(8-10-16)11-18(22)20(2)3/h4-10,12-13,19,21H,11H2,1-3H3.
What are the key properties of 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide?
2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide has a molecular weight of 298.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-hydroxyethyl)anilino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 157011392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).