3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide

C15H24N4O2 — CID 106279936

IUPAC3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C15H24N4O2/c1-10(16)11-5-7-12(8-6-11)19-14(21)18-9-15(2,3)13(20)17-4/h5-8,10H,9,16H2,1-4H3,(H,17,20)(H2,18,19,21)
InChIKeyVDDOHNDRNJVEJR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.60
Rot. Bonds5

About 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide

3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide (PubChem CID 106279936) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
PubChem CID106279936
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C15H24N4O2/c1-10(16)11-5-7-12(8-6-11)19-14(21)18-9-15(2,3)13(20)17-4/h5-8,10H,9,16H2,1-4H3,(H,17,20)(H2,18,19,21)
InChIKeyVDDOHNDRNJVEJR-UHFFFAOYSA-N
XLogP1.60
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
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1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
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CID 49780161

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide (CID 106279936) is 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide?
The InChIKey is VDDOHNDRNJVEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(16)11-5-7-12(8-6-11)19-14(21)18-9-15(2,3)13(20)17-4/h5-8,10H,9,16H2,1-4H3,(H,17,20)(H2,18,19,21).
What are the key properties of 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide?
3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106279936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).