N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide

C24H34N2O3 — CID 55907325

IUPACN-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c1-16(2)29-21-6-4-3-5-20(21)15-26-22(27)7-8-25-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCJRJXJRHOHIOFH-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.81
Rot. Bonds8

About N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide

N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide (PubChem CID 55907325) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide
PubChem CID55907325
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3/c1-16(2)29-21-6-4-3-5-20(21)15-26-22(27)7-8-25-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCJRJXJRHOHIOFH-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55860381
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-[3-(2-iodoanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 17490902
N-[2-(3-phenoxypropanoylamino)ethyl]adamantane-1-carboxamide
CID 108542343
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51308768
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
N-benzyl-3-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]propanamide
CID 51129432

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide (CID 55907325) is N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide is CC(C)Oc1ccccc1CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide?
The InChIKey is CJRJXJRHOHIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-16(2)29-21-6-4-3-5-20(21)15-26-22(27)7-8-25-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,16-19H,7-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide?
N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide is sourced from PubChem (CID 55907325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).