3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide

C23H32N2O2 — CID 9114061

IUPAC3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H32N2O2/c1-3-25(4-2)22(27)19-6-5-7-20(11-19)24-21(26)15-23-12-16-8-17(13-23)10-18(9-16)14-23/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3,(H,24,26)
InChIKeyQUTVJTMIIPPSPU-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.71
Rot. Bonds6

About 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide

3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 9114061) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide
PubChem CID9114061
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H32N2O2/c1-3-25(4-2)22(27)19-6-5-7-20(11-19)24-21(26)15-23-12-16-8-17(13-23)10-18(9-16)14-23/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3,(H,24,26)
InChIKeyQUTVJTMIIPPSPU-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Adamantan-1-yl)-4-aminobenzamide
CID 477705
1-(3-Acetylphenyl)-3-(2-adamantyl)urea
CID 23581967
2-(1-adamantyl)-N-[1-oxo-2-[[(2R)-pyrrolidin-2-yl]methyl]isoquinolin-5-yl]acetamide
CID 24894836
2-(1-adamantyl)-N-[2-(1,3-dihydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]acetamide
CID 24894837
2-Adamantan-1-yl-N-[2-(1-hydroxymethyl-2-methyl-propyl)-1-oxo-1,2-dihydro-isoquinolin-5-yl]-acetamide
CID 24894840
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 39994248
4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 154636919
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-iodobenzoyl)amino]benzamide
CID 155664128
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664130
1-(2-Adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 164621598
AZ11657312 (salt free)
CID 11193842
(9aR,11aS)-N-(3-benzoylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44338668

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide (CID 9114061) is 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is QUTVJTMIIPPSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-25(4-2)22(27)19-6-5-7-20(11-19)24-21(26)15-23-12-16-8-17(13-23)10-18(9-16)14-23/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3,(H,24,26).
What are the key properties of 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 368.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-adamantyl)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 9114061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).