N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide

C26H36N2O2 — CID 31784528

IUPACN-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cc1
InChIInChI=1S/C26H36N2O2/c1-17(2)22-5-3-18(4-6-22)16-28(23-7-8-23)24(29)15-27-25(30)26-12-19-9-20(13-26)11-21(10-19)14-26/h3-6,17,19-21,23H,7-16H2,1-2H3,(H,27,30)
InChIKeySNDMLXDEUKIWMQ-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.63
Rot. Bonds7

About N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 31784528) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID31784528
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cc1
InChIInChI=1S/C26H36N2O2/c1-17(2)22-5-3-18(4-6-22)16-28(23-7-8-23)24(29)15-27-25(30)26-12-19-9-20(13-26)11-21(10-19)14-26/h3-6,17,19-21,23H,7-16H2,1-2H3,(H,27,30)
InChIKeySNDMLXDEUKIWMQ-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 31125148
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9479093
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
N-cyclopropyl-2-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813388
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
1-adamantyl-(4-propan-2-ylphenyl)methanone
CID 43625037
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide (CID 31784528) is N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide is CC(C)c1ccc(CN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cc1.
What is the InChIKey of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is SNDMLXDEUKIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-17(2)22-5-3-18(4-6-22)16-28(23-7-8-23)24(29)15-27-25(30)26-12-19-9-20(13-26)11-21(10-19)14-26/h3-6,17,19-21,23H,7-16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 31784528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).