[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C24H31N3O5 — CID 34328308

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H31N3O5/c1-2-25-22(30)18-4-3-5-19(9-18)27-20(28)14-32-21(29)13-26-23(31)24-10-15-6-16(11-24)8-17(7-15)12-24/h3-5,9,15-17H,2,6-8,10-14H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeySIPZXIYNOHQRON-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.25
Rot. Bonds8

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 34328308) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID34328308
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H31N3O5/c1-2-25-22(30)18-4-3-5-19(9-18)27-20(28)14-32-21(29)13-26-23(31)24-10-15-6-16(11-24)8-17(7-15)12-24/h3-5,9,15-17H,2,6-8,10-14H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeySIPZXIYNOHQRON-UHFFFAOYSA-N
XLogP2.25
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202924
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175115
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363782
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 34328308) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is CCNC(=O)c1cccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is SIPZXIYNOHQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-2-25-22(30)18-4-3-5-19(9-18)27-20(28)14-32-21(29)13-26-23(31)24-10-15-6-16(11-24)8-17(7-15)12-24/h3-5,9,15-17H,2,6-8,10-14H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 441.53 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 34328308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).