4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide

C24H30N2O3 — CID 109048043

IUPAC4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-29-22-10-6-7-18(17-22)15-16-25-23(27)19-11-13-20(14-12-19)24(28)26-21-8-4-2-3-5-9-21/h6-7,10-14,17,21H,2-5,8-9,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNVSDMRIAFDSITG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.12
Rot. Bonds7

About 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide

4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109048043) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID109048043
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-29-22-10-6-7-18(17-22)15-16-25-23(27)19-11-13-20(14-12-19)24(28)26-21-8-4-2-3-5-9-21/h6-7,10-14,17,21H,2-5,8-9,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyNVSDMRIAFDSITG-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide (CID 109048043) is 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide is COc1cccc(CCNC(=O)c2ccc(C(=O)NC3CCCCCC3)cc2)c1.
What is the InChIKey of 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is NVSDMRIAFDSITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-22-10-6-7-18(17-22)15-16-25-23(27)19-11-13-20(14-12-19)24(28)26-21-8-4-2-3-5-9-21/h6-7,10-14,17,21H,2-5,8-9,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).