N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide

C17H20N4O2 — CID 108894693

IUPACN-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccc(N(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H20N4O2/c1-12(22)21(16-8-4-13(18)5-9-16)17(23)19-14-6-10-15(11-7-14)20(2)3/h4-11H,18H2,1-3H3,(H,19,23)
InChIKeyOGSSUZPJXKYENG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.92
Rot. Bonds3

About N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide

N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide (PubChem CID 108894693) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
PubChem CID108894693
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccc(N(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H20N4O2/c1-12(22)21(16-8-4-13(18)5-9-16)17(23)19-14-6-10-15(11-7-14)20(2)3/h4-11H,18H2,1-3H3,(H,19,23)
InChIKeyOGSSUZPJXKYENG-UHFFFAOYSA-N
XLogP2.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527902
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
CID 108889107
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108894808
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide (CID 108894693) is N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide is CC(=O)N(C(=O)Nc1ccc(N(C)C)cc1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide?
The InChIKey is OGSSUZPJXKYENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(22)21(16-8-4-13(18)5-9-16)17(23)19-14-6-10-15(11-7-14)20(2)3/h4-11H,18H2,1-3H3,(H,19,23).
What are the key properties of N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide?
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide is sourced from PubChem (CID 108894693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).