3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide

C13H21N3O2 — CID 54862434

IUPAC3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCN)cc1
InChIInChI=1S/C13H21N3O2/c1-16(2)9-10-18-12-5-3-11(4-6-12)15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyQCDMLFSHBMXNQA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.91
Rot. Bonds7

About 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide

3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide (PubChem CID 54862434) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
PubChem CID54862434
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCN)cc1
InChIInChI=1S/C13H21N3O2/c1-16(2)9-10-18-12-5-3-11(4-6-12)15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3,(H,15,17)
InChIKeyQCDMLFSHBMXNQA-UHFFFAOYSA-N
XLogP0.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536806
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
3-amino-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183325
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(1H-indol-3-yl)propanamide
CID 87006855
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide (CID 54862434) is 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide is CN(C)CCOc1ccc(NC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The InChIKey is QCDMLFSHBMXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)9-10-18-12-5-3-11(4-6-12)15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide is sourced from PubChem (CID 54862434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).