N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide

C14H22N2O2 — CID 79667906

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-4-16(10-14(2,3)9-15)13(18)11-6-5-7-12(17)8-11/h5-8,17H,4,9-10,15H2,1-3H3
InChIKeyODIXGSXPAFYLJA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.84
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide (PubChem CID 79667906) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
PubChem CID79667906
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-4-16(10-14(2,3)9-15)13(18)11-6-5-7-12(17)8-11/h5-8,17H,4,9-10,15H2,1-3H3
InChIKeyODIXGSXPAFYLJA-UHFFFAOYSA-N
XLogP1.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 79667981
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
CID 79663389

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide (CID 79667906) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide is CCN(CC(C)(C)CN)C(=O)c1cccc(O)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide?
The InChIKey is ODIXGSXPAFYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(10-14(2,3)9-15)13(18)11-6-5-7-12(17)8-11/h5-8,17H,4,9-10,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide is sourced from PubChem (CID 79667906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).