4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide

C14H22N2O2 — CID 79384782

IUPAC4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(10-14(2,3)18)13(17)12-7-5-11(9-15)6-8-12/h5-8,18H,4,9-10,15H2,1-3H3
InChIKeyFXWHJPGMPBGQHK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.38
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide

4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79384782) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79384782
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(10-14(2,3)18)13(17)12-7-5-11(9-15)6-8-12/h5-8,18H,4,9-10,15H2,1-3H3
InChIKeyFXWHJPGMPBGQHK-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859493
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
4-(3-aminoprop-1-ynyl)-3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 81293842
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,5-dimethoxybenzamide
CID 79387015
4-butyl-N,N-diethylbenzamide
CID 60675001

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79384782) is 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is FXWHJPGMPBGQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(10-14(2,3)18)13(17)12-7-5-11(9-15)6-8-12/h5-8,18H,4,9-10,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide?
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79384782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).