N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate

C20H29NO4 — CID 143724469

IUPACN-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
SMILESCOC(C)=O.COc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1
InChIInChI=1S/C17H23NO2.C3H6O2/c1-20-16-11-7-13(8-12-16)17(19)18(15-9-10-15)14-5-3-2-4-6-14;1-3(4)5-2/h7-8,11-12,14-15H,2-6,9-10H2,1H3;1-2H3
InChIKeyUDSDPNTXOPWROP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.81
Rot. Bonds4

About N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate

N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate (PubChem CID 143724469) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
PubChem CID143724469
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC NameN-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
SMILESCOC(C)=O.COc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1
InChIInChI=1S/C17H23NO2.C3H6O2/c1-20-16-11-7-13(8-12-16)17(19)18(15-9-10-15)14-5-3-2-4-6-14;1-3(4)5-2/h7-8,11-12,14-15H,2-6,9-10H2,1H3;1-2H3
InChIKeyUDSDPNTXOPWROP-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
CID 95306595
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
2-(4-acetylphenoxy)-N-cyclopentyl-N-cyclopropylacetamide
CID 52568362
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
CID 175054365
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 147977427
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate (CID 143724469) is N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate is COC(C)=O.COc1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate?
The InChIKey is UDSDPNTXOPWROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.C3H6O2/c1-20-16-11-7-13(8-12-16)17(19)18(15-9-10-15)14-5-3-2-4-6-14;1-3(4)5-2/h7-8,11-12,14-15H,2-6,9-10H2,1H3;1-2H3.
What are the key properties of N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate?
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate has a molecular weight of 347.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate is sourced from PubChem (CID 143724469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).