N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide

C16H27N3O2 — CID 82941643

IUPACN-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
SMILESCOCCN(C(C)C)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C16H27N3O2/c1-12(2)19(9-10-21-4)13(3)16(20)18-15-8-6-5-7-14(15)11-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyDGNQATSFLHDLEK-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.83
Rot. Bonds8

About N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide

N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide (PubChem CID 82941643) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
PubChem CID82941643
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
SMILESCOCCN(C(C)C)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C16H27N3O2/c1-12(2)19(9-10-21-4)13(3)16(20)18-15-8-6-5-7-14(15)11-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyDGNQATSFLHDLEK-UHFFFAOYSA-N
XLogP1.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82938584
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
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N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453286
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide (CID 82941643) is N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide is COCCN(C(C)C)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
The InChIKey is DGNQATSFLHDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19(9-10-21-4)13(3)16(20)18-15-8-6-5-7-14(15)11-17/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 82941643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).