4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide

C22H31N3O2 — CID 164616237

IUPAC4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C22H31N3O2/c1-13(2)12-23-21(26)16-3-5-19(6-4-16)24-22(27)25-20-17-8-14-7-15(10-17)11-18(20)9-14/h3-6,13-15,17-18,20H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyWGNFMURLPYHVDG-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.02
Rot. Bonds5

About 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide

4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide (PubChem CID 164616237) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide
PubChem CID164616237
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C22H31N3O2/c1-13(2)12-23-21(26)16-3-5-19(6-4-16)24-22(27)25-20-17-8-14-7-15(10-17)11-18(20)9-14/h3-6,13-15,17-18,20H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyWGNFMURLPYHVDG-UHFFFAOYSA-N
XLogP4.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Adamantan-1-yl)-4-aminobenzamide
CID 477705
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
1-(3-Acetylphenyl)-3-(2-adamantyl)urea
CID 23581967
Tert-butyl 4-[4-(1-adamantylcarbamoylamino)benzoyl]piperazine-1-carboxylate
CID 60163073
4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 154636919
1-(2-Adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 164621598
4-Amino-N-(1-methyl-2-phenyl-ethyl)-benzamide
CID 2845137
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
4-[(anilinocarbonyl)amino]-N-methylbenzamide
CID 726388
4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine-1-carboxamide
CID 16012854
1-(2-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329886
1-phenyl-3-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 56673798

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide (CID 164616237) is 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is WGNFMURLPYHVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-13(2)12-23-21(26)16-3-5-19(6-4-16)24-22(27)25-20-17-8-14-7-15(10-17)11-18(20)9-14/h3-6,13-15,17-18,20H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide?
4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 369.51 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylcarbamoylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 164616237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).