N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide

C14H22N2O2 — CID 54946973

IUPACN,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)14(18)10-15(3)13-8-6-12(11-17)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyQQXFQEMWUJPCJB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds6

About N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide

N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide (PubChem CID 54946973) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide
PubChem CID54946973
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1ccc(CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)14(18)10-15(3)13-8-6-12(11-17)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyQQXFQEMWUJPCJB-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
N-ethyl-2-[ethyl-[2-(N-methylanilino)acetyl]amino]acetamide
CID 47117762
N,N-dibenzyl-2-(N-methylanilino)acetamide
CID 102294551
2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345821
N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154163
2-[4-[acetyl(methyl)amino]phenyl]-N,N-diethylacetamide
CID 110674893
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 60581890
N,N-diethyl-2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629963
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide (CID 54946973) is N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide is CCN(CC)C(=O)CN(C)c1ccc(CO)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide?
The InChIKey is QQXFQEMWUJPCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)14(18)10-15(3)13-8-6-12(11-17)7-9-13/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide?
N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(hydroxymethyl)-N-methylanilino]acetamide is sourced from PubChem (CID 54946973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).