2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

C14H22N2O2 — CID 113293967

IUPAC2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1ccccc1CCN
InChIInChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-13(18)12-6-4-3-5-11(12)7-8-15/h3-6,17H,7-10,15H2,1-2H3,(H,16,18)
InChIKeyLRVLBPWIBCSSOF-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.94
Rot. Bonds6

About 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (PubChem CID 113293967) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
PubChem CID113293967
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1ccccc1CCN
InChIInChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-13(18)12-6-4-3-5-11(12)7-8-15/h3-6,17H,7-10,15H2,1-2H3,(H,16,18)
InChIKeyLRVLBPWIBCSSOF-UHFFFAOYSA-N
XLogP0.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
CID 106147962
3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 112576097
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65314197
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (CID 113293967) is 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is CC(C)(CO)CNC(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The InChIKey is LRVLBPWIBCSSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-13(18)12-6-4-3-5-11(12)7-8-15/h3-6,17H,7-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 113293967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).