N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide

C17H24N2O3 — CID 17226027

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-22-15-9-5-6-13(12-15)17(21)18-11-10-16(20)19-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyRNMCZBJRAORZBK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.26
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide

N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide (PubChem CID 17226027) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
PubChem CID17226027
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-22-15-9-5-6-13(12-15)17(21)18-11-10-16(20)19-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyRNMCZBJRAORZBK-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide (CID 17226027) is N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
The InChIKey is RNMCZBJRAORZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-15-9-5-6-13(12-15)17(21)18-11-10-16(20)19-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide has a molecular weight of 304.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide is sourced from PubChem (CID 17226027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).