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

C16H25N3O2 — CID 60928327

IUPAC3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)11-12-21-15-7-5-14(6-8-15)18-16(20)9-10-17-13-3-4-13/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyWCBAKEJNQTVNEO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.71
Rot. Bonds9

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

3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide (PubChem CID 60928327) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
PubChem CID60928327
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
SMILESCN(C)CCOc1ccc(NC(=O)CCNC2CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)11-12-21-15-7-5-14(6-8-15)18-16(20)9-10-17-13-3-4-13/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyWCBAKEJNQTVNEO-UHFFFAOYSA-N
XLogP1.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
CID 114253132
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536806
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
4-[4-[2-(dimethylamino)ethoxy]anilino]cyclohexan-1-ol
CID 82539341
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide (CID 60928327) is 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide is CN(C)CCOc1ccc(NC(=O)CCNC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The InChIKey is WCBAKEJNQTVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)11-12-21-15-7-5-14(6-8-15)18-16(20)9-10-17-13-3-4-13/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide is sourced from PubChem (CID 60928327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).