3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide

C18H29N3O2 — CID 87003610

IUPAC3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)NCCc1ccc(C(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C18H29N3O2/c1-17(2,3)14-8-6-13(7-9-14)10-11-20-16(23)21-12-18(4,5)15(19)22/h6-9H,10-12H2,1-5H3,(H2,19,22)(H2,20,21,23)
InChIKeyPFJAGJXRUFJXPC-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.34
Rot. Bonds6

About 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide

3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide (PubChem CID 87003610) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
PubChem CID87003610
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)NCCc1ccc(C(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C18H29N3O2/c1-17(2,3)14-8-6-13(7-9-14)10-11-20-16(23)21-12-18(4,5)15(19)22/h6-9H,10-12H2,1-5H3,(H2,19,22)(H2,20,21,23)
InChIKeyPFJAGJXRUFJXPC-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
CID 87037217
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
CID 56813966
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
1-(2,2-dimethylpropyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776095
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
1-(2-methyl-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 35664316
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide (CID 87003610) is 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide is CC(C)(CNC(=O)NCCc1ccc(C(C)(C)C)cc1)C(N)=O.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide?
The InChIKey is PFJAGJXRUFJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-17(2,3)14-8-6-13(7-9-14)10-11-20-16(23)21-12-18(4,5)15(19)22/h6-9H,10-12H2,1-5H3,(H2,19,22)(H2,20,21,23).
What are the key properties of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide?
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 87003610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).