3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide

C14H22N2O2 — CID 138647417

IUPAC3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)NCc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-10-11-5-4-6-12(9-11)13(18)15-7-8-17/h4-6,9,16-17H,7-8,10H2,1-3H3,(H,15,18)
InChIKeyPNTNKJIEHFOMEG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds5

About 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide

3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 138647417) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
PubChem CID138647417
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(C)NCc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-10-11-5-4-6-12(9-11)13(18)15-7-8-17/h4-6,9,16-17H,7-8,10H2,1-3H3,(H,15,18)
InChIKeyPNTNKJIEHFOMEG-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyanomethyl)-N-(2-hydroxyethyl)benzamide
CID 78885620
3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
CID 134167211
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide
CID 58459031
4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742098
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
3-[(tert-butylamino)methyl]benzenecarboximidamide
CID 163795813
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide (CID 138647417) is 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide is CC(C)(C)NCc1cccc(C(=O)NCCO)c1.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is PNTNKJIEHFOMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)16-10-11-5-4-6-12(9-11)13(18)15-7-8-17/h4-6,9,16-17H,7-8,10H2,1-3H3,(H,15,18).
What are the key properties of 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide?
3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 138647417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).