3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide

C23H31N3O2 — CID 55897072

IUPAC3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H31N3O2/c1-4-13-25-23(28)20-6-5-7-21(15-20)26-16-22(27)24-14-12-18-8-10-19(11-9-18)17(2)3/h5-11,15,17,26H,4,12-14,16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyIABYJNYRUPUKBH-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.72
Rot. Bonds10

About 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide

3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide (PubChem CID 55897072) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide
PubChem CID55897072
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H31N3O2/c1-4-13-25-23(28)20-6-5-7-21(15-20)26-16-22(27)24-14-12-18-8-10-19(11-9-18)17(2)3/h5-11,15,17,26H,4,12-14,16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyIABYJNYRUPUKBH-UHFFFAOYSA-N
XLogP3.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 27916949
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838983
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-(ethylamino)-N-propylbenzamide
CID 43676038
2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55475780
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide (CID 55897072) is 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)NCCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide?
The InChIKey is IABYJNYRUPUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-13-25-23(28)20-6-5-7-21(15-20)26-16-22(27)24-14-12-18-8-10-19(11-9-18)17(2)3/h5-11,15,17,26H,4,12-14,16H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide?
3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55897072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).