3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide

C19H31N3O2 — CID 87037217

IUPAC3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-5-12-20-17(23)11-14-22-18(24)21-13-10-15-6-8-16(9-7-15)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23)(H2,21,22,24)
InChIKeyXYMQASTYTDFTRU-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.74
Rot. Bonds8

About 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide

3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide (PubChem CID 87037217) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
PubChem CID87037217
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H31N3O2/c1-5-12-20-17(23)11-14-22-18(24)21-13-10-15-6-8-16(9-7-15)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23)(H2,21,22,24)
InChIKeyXYMQASTYTDFTRU-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
CID 87003610
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
2-[(S)-(4-tert-butylphenyl)methylsulfinyl]-N-propylacetamide
CID 94797057
4-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]ethyl]benzoic acid
CID 75415241
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
4-oxo-4-[2-(4-propylphenyl)ethylamino]butanoic acid
CID 115163721
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
The IUPAC name of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide (CID 87037217) is 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
The InChIKey is XYMQASTYTDFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-12-20-17(23)11-14-22-18(24)21-13-10-15-6-8-16(9-7-15)19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,23)(H2,21,22,24).
What are the key properties of 3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide?
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-N-propylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.74, 8 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]-N-propylpropanamide is sourced from PubChem (CID 87037217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).