N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide

C14H22N2O2 — CID 112554364

IUPACN,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1cccc(C)c1O
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)13(17)10-15-9-12-8-6-7-11(3)14(12)18/h6-8,15,18H,4-5,9-10H2,1-3H3
InChIKeyFXNGPYTUDCKLHF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.66
Rot. Bonds6

About N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide

N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide (PubChem CID 112554364) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
PubChem CID112554364
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1cccc(C)c1O
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)13(17)10-15-9-12-8-6-7-11(3)14(12)18/h6-8,15,18H,4-5,9-10H2,1-3H3
InChIKeyFXNGPYTUDCKLHF-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(Butylamino)methyl]phenol
CID 487839
2(1H)-Pyridinone, 5-ethyl-3-(((2-hydroxyphenyl)methyl)amino)-6-methyl-
CID 454357
2-[[2-[(2-Hydroxy-5-methylphenyl)methylamino]ethylamino]methyl]-4-methylphenol
CID 3627083
Salicylamide, N-((dimethylcarbamoyl)methyl)-
CID 199587
(((2-Aminoethyl)amino)methyl)phenol
CID 3033857
o-Cresol, alpha-(hexylamino)-
CID 60211
Phenol, (((2-((2-aminoethyl)amino)ethyl)amino)methyl)-
CID 162109
Phenol, 2-((pentylamino)methyl)-
CID 3059110
4Y92H9UU7Y
CID 156028130
O-Desmethyl-o-hydroxylacosamide
CID 156596912
4-Ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 3843205
alpha,alpha'-Bis(dimethylamino)-2,6-xylenol
CID 85127

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide (CID 112554364) is N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide is CCN(CC)C(=O)CNCc1cccc(C)c1O.
What is the InChIKey of N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide?
The InChIKey is FXNGPYTUDCKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)13(17)10-15-9-12-8-6-7-11(3)14(12)18/h6-8,15,18H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide?
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 112554364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).