N-(3,4-diaminophenyl)-2-(diethylamino)acetamide

C12H20N4O — CID 66593690

IUPACN-(3,4-diaminophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(N)c(N)c1
InChIInChI=1S/C12H20N4O/c1-3-16(4-2)8-12(17)15-9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,13-14H2,1-2H3,(H,15,17)
InChIKeyKIYYMIKPOOZHLI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds5

About N-(3,4-diaminophenyl)-2-(diethylamino)acetamide

N-(3,4-diaminophenyl)-2-(diethylamino)acetamide (PubChem CID 66593690) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3,4-diaminophenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-diaminophenyl)-2-(diethylamino)acetamide
PubChem CID66593690
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3,4-diaminophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(N)c(N)c1
InChIInChI=1S/C12H20N4O/c1-3-16(4-2)8-12(17)15-9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,13-14H2,1-2H3,(H,15,17)
InChIKeyKIYYMIKPOOZHLI-UHFFFAOYSA-N
XLogP1.13
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,4-diaminophenyl)-2-(diethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587466
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705
N-(3-amino-4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477796
N-(3-amino-4-methylphenyl)-2-[2-ethoxyethyl(ethyl)amino]acetamide
CID 63698404
N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54988249

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diaminophenyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(3,4-diaminophenyl)-2-(diethylamino)acetamide (CID 66593690) is N-(3,4-diaminophenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(3,4-diaminophenyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(3,4-diaminophenyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1ccc(N)c(N)c1.
What is the InChIKey of N-(3,4-diaminophenyl)-2-(diethylamino)acetamide?
The InChIKey is KIYYMIKPOOZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(4-2)8-12(17)15-9-5-6-10(13)11(14)7-9/h5-7H,3-4,8,13-14H2,1-2H3,(H,15,17).
What are the key properties of N-(3,4-diaminophenyl)-2-(diethylamino)acetamide?
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diaminophenyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 66593690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).