N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide

C26H37N3O4 — CID 3487496

IUPACN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H37N3O4/c1-17(2)15-29(25(32)26-11-18-8-19(12-26)10-20(9-18)13-26)16-24(31)27-14-23(30)28-21-4-6-22(33-3)7-5-21/h4-7,17-20H,8-16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyHYHVTFVHLSXEAZ-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.45
Rot. Bonds9

About N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide

N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide (PubChem CID 3487496) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
PubChem CID3487496
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H37N3O4/c1-17(2)15-29(25(32)26-11-18-8-19(12-26)10-20(9-18)13-26)16-24(31)27-14-23(30)28-21-4-6-22(33-3)7-5-21/h4-7,17-20H,8-16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyHYHVTFVHLSXEAZ-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)butanamide
CID 7337594
N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
CID 3531170
N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 42896670
(2S)-N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 7362538
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238
N,N-bis(2-methylpropyl)adamantane-1-carboxamide
CID 5210533
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3383343
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide (CID 3487496) is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide is COc1ccc(NC(=O)CNC(=O)CN(CC(C)C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
The InChIKey is HYHVTFVHLSXEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-17(2)15-29(25(32)26-11-18-8-19(12-26)10-20(9-18)13-26)16-24(31)27-14-23(30)28-21-4-6-22(33-3)7-5-21/h4-7,17-20H,8-16H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide?
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 3487496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).