3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide

C13H20N4O2 — CID 106278266

IUPAC3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,11(18)15-3)8-16-12(19)17-10-6-4-9(14)5-7-10/h4-7H,8,14H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyLRGXFPRWTZSZCD-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds4

About 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide

3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide (PubChem CID 106278266) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide
PubChem CID106278266
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,11(18)15-3)8-16-12(19)17-10-6-4-9(14)5-7-10/h4-7H,8,14H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyLRGXFPRWTZSZCD-UHFFFAOYSA-N
XLogP1.16
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
CID 106279936
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
1-(4-aminophenyl)-3-butylurea
CID 28785616
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
CID 106275307
3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide (CID 106278266) is 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide?
The InChIKey is LRGXFPRWTZSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,11(18)15-3)8-16-12(19)17-10-6-4-9(14)5-7-10/h4-7H,8,14H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide?
3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).