N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

C25H35N3O5 — CID 55982175

IUPACN-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CCCCC1
InChIInChI=1S/C25H35N3O5/c1-6-28(7-2)24(30)25(13-9-8-10-14-25)26-23(29)19-11-12-21(22(15-19)31-5)32-16-20-17(3)27-33-18(20)4/h11-12,15H,6-10,13-14,16H2,1-5H3,(H,26,29)
InChIKeyWQZGFNOOMPNLIW-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.18
Rot. Bonds9

About N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (PubChem CID 55982175) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
PubChem CID55982175
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC NameN-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CCCCC1
InChIInChI=1S/C25H35N3O5/c1-6-28(7-2)24(30)25(13-9-8-10-14-25)26-23(29)19-11-12-21(22(15-19)31-5)32-16-20-17(3)27-33-18(20)4/h11-12,15H,6-10,13-14,16H2,1-5H3,(H,26,29)
InChIKeyWQZGFNOOMPNLIW-UHFFFAOYSA-N
XLogP4.18
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
ethyl 1-[[(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]cyclohexane-1-carboxylate
CID 55766582
4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
CID 55982692
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
CID 55768186
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46433797

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide (CID 55982175) is N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is CCN(CC)C(=O)C1(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CCCCC1.
What is the InChIKey of N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
The InChIKey is WQZGFNOOMPNLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-6-28(7-2)24(30)25(13-9-8-10-14-25)26-23(29)19-11-12-21(22(15-19)31-5)32-16-20-17(3)27-33-18(20)4/h11-12,15H,6-10,13-14,16H2,1-5H3,(H,26,29).
What are the key properties of N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide?
N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide has a molecular weight of 457.57 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 55982175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).