N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide

C23H30N2O3 — CID 54787348

IUPACN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O3/c26-21(24-14-20-5-2-6-28-20)18-3-1-4-19(10-18)25-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h1,3-4,10,15-17,20H,2,5-9,11-14H2,(H,24,26)(H,25,27)
InChIKeyFIURZEAKIJXECD-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.75
Rot. Bonds5

About N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide

N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 54787348) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
PubChem CID54787348
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O3/c26-21(24-14-20-5-2-6-28-20)18-3-1-4-19(10-18)25-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h1,3-4,10,15-17,20H,2,5-9,11-14H2,(H,24,26)(H,25,27)
InChIKeyFIURZEAKIJXECD-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
N-[[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 42579611
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide (CID 54787348) is N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide is O=C(NCC1CCCO1)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is FIURZEAKIJXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-21(24-14-20-5-2-6-28-20)18-3-1-4-19(10-18)25-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h1,3-4,10,15-17,20H,2,5-9,11-14H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide?
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).