N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

C26H37N3O3 — CID 17466246

IUPACN-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C26H37N3O3/c1-4-20-7-5-6-8-21(20)28-22(30)15-27-24(31)23(16(2)3)29-25(32)26-12-17-9-18(13-26)11-19(10-17)14-26/h5-8,16-19,23H,4,9-15H2,1-3H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyNSPWPMUWPRMJMI-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.66
Rot. Bonds8

About N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 17466246) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID17466246
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC NameN-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C26H37N3O3/c1-4-20-7-5-6-8-21(20)28-22(30)15-27-24(31)23(16(2)3)29-25(32)26-12-17-9-18(13-26)11-19(10-17)14-26/h5-8,16-19,23H,4,9-15H2,1-3H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyNSPWPMUWPRMJMI-UHFFFAOYSA-N
XLogP3.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (CID 17466246) is N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is CCc1ccccc1NC(=O)CNC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C.
What is the InChIKey of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is NSPWPMUWPRMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-4-20-7-5-6-8-21(20)28-22(30)15-27-24(31)23(16(2)3)29-25(32)26-12-17-9-18(13-26)11-19(10-17)14-26/h5-8,16-19,23H,4,9-15H2,1-3H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-ethylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 17466246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).