N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide

C16H27N3O2 — CID 79380266

IUPACN-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
SMILESCCN(CC(C)(C)O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C16H27N3O2/c1-5-19(11-16(3,4)21)12(2)15(20)18-14-9-7-6-8-13(14)10-17/h6-9,12,21H,5,10-11,17H2,1-4H3,(H,18,20)
InChIKeyPTKXYHFBAZWDML-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide

N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide (PubChem CID 79380266) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
PubChem CID79380266
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
SMILESCCN(CC(C)(C)O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C16H27N3O2/c1-5-19(11-16(3,4)21)12(2)15(20)18-14-9-7-6-8-13(14)10-17/h6-9,12,21H,5,10-11,17H2,1-4H3,(H,18,20)
InChIKeyPTKXYHFBAZWDML-UHFFFAOYSA-N
XLogP1.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
CID 43127359
N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750362
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide (CID 79380266) is N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide is CCN(CC(C)(C)O)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
The InChIKey is PTKXYHFBAZWDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(11-16(3,4)21)12(2)15(20)18-14-9-7-6-8-13(14)10-17/h6-9,12,21H,5,10-11,17H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide is sourced from PubChem (CID 79380266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).