N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide

C18H26N2O4 — CID 17191583

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26N2O4/c1-23-15-10-13(11-16(12-15)24-2)18(22)19-9-8-17(21)20-14-6-4-3-5-7-14/h10-12,14H,3-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyATGSCLVWIKLURJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.27
Rot. Bonds7

About N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide

N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide (PubChem CID 17191583) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
PubChem CID17191583
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26N2O4/c1-23-15-10-13(11-16(12-15)24-2)18(22)19-9-8-17(21)20-14-6-4-3-5-7-14/h10-12,14H,3-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyATGSCLVWIKLURJ-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
N-[[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 2867599
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
CID 72894420
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide (CID 17191583) is N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The InChIKey is ATGSCLVWIKLURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-15-10-13(11-16(12-15)24-2)18(22)19-9-8-17(21)20-14-6-4-3-5-7-14/h10-12,14H,3-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).