N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide

C14H23N3O — CID 16779035

IUPACN-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
SMILESCCN(CC)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)11(4)14(18)16-13-9-7-8-12(15)10(13)3/h7-9,11H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyAPOGCOQULRJOIU-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide

N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide (PubChem CID 16779035) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
PubChem CID16779035
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
SMILESCCN(CC)C(C)C(=O)Nc1cccc(N)c1C
InChIInChI=1S/C14H23N3O/c1-5-17(6-2)11(4)14(18)16-13-9-7-8-12(15)10(13)3/h7-9,11H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyAPOGCOQULRJOIU-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272512
2-[(2-amino-2-oxoethyl)-ethylamino]-N-(2-aminophenyl)propanamide
CID 103101404
N-(3-amino-2-methylphenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]propanamide
CID 106914626
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-2-[methyl(oxolan-3-yl)amino]propanamide
CID 82733294
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
CID 43296275
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753806

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide (CID 16779035) is N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide is CCN(CC)C(C)C(=O)Nc1cccc(N)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide?
The InChIKey is APOGCOQULRJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(6-2)11(4)14(18)16-13-9-7-8-12(15)10(13)3/h7-9,11H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide?
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide has a molecular weight of 249.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide is sourced from PubChem (CID 16779035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).