N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide

C27H32N2O5 — CID 2923053

IUPACN-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC
InChIInChI=1S/C27H32N2O5/c1-32-22-11-19(12-23(33-2)24(22)34-3)25(30)28-21-7-5-4-6-20(21)26(31)29-27-13-16-8-17(14-27)10-18(9-16)15-27/h4-7,11-12,16-18H,8-10,13-15H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyISKJQTPMAUOJOZ-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.66
Rot. Bonds7

About N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide

N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2923053) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID2923053
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC NameN-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC
InChIInChI=1S/C27H32N2O5/c1-32-22-11-19(12-23(33-2)24(22)34-3)25(30)28-21-7-5-4-6-20(21)26(31)29-27-13-16-8-17(14-27)10-18(9-16)15-27/h4-7,11-12,16-18H,8-10,13-15H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyISKJQTPMAUOJOZ-UHFFFAOYSA-N
XLogP4.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 42944718
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
CID 17102619
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide (CID 2923053) is N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC.
What is the InChIKey of N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ISKJQTPMAUOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-32-22-11-19(12-23(33-2)24(22)34-3)25(30)28-21-7-5-4-6-20(21)26(31)29-27-13-16-8-17(14-27)10-18(9-16)15-27/h4-7,11-12,16-18H,8-10,13-15H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 464.56 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2923053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).