3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide

C19H24N2O2 — CID 119792647

IUPAC3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)15-9-7-13(8-10-15)17(22)12-21-18(23)14-5-4-6-16(20)11-14/h4-11,17,22H,12,20H2,1-3H3,(H,21,23)
InChIKeyZMUSRAOPIUPEOT-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide

3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide (PubChem CID 119792647) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
PubChem CID119792647
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)15-9-7-13(8-10-15)17(22)12-21-18(23)14-5-4-6-16(20)11-14/h4-11,17,22H,12,20H2,1-3H3,(H,21,23)
InChIKeyZMUSRAOPIUPEOT-UHFFFAOYSA-N
XLogP3.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 111422607
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-[[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]methyl]benzoic acid
CID 122031405
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide (CID 119792647) is 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide is CC(C)(C)c1ccc(C(O)CNC(=O)c2cccc(N)c2)cc1.
What is the InChIKey of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide?
The InChIKey is ZMUSRAOPIUPEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)15-9-7-13(8-10-15)17(22)12-21-18(23)14-5-4-6-16(20)11-14/h4-11,17,22H,12,20H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide?
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 119792647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).