N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C21H32N2O3 — CID 108964347

IUPACN-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1cccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-21(2,20(25)23-17-10-6-4-5-7-11-17)19(24)22-14-13-16-9-8-12-18(15-16)26-3/h8-9,12,15,17H,4-7,10-11,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBPSUDXLYPIZARN-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.22
Rot. Bonds7

About N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964347) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964347
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1cccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-21(2,20(25)23-17-10-6-4-5-7-11-17)19(24)22-14-13-16-9-8-12-18(15-16)26-3/h8-9,12,15,17H,4-7,10-11,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBPSUDXLYPIZARN-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
CID 112983603
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964399
N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964406

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964347) is N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1cccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is BPSUDXLYPIZARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-21(2,20(25)23-17-10-6-4-5-7-11-17)19(24)22-14-13-16-9-8-12-18(15-16)26-3/h8-9,12,15,17H,4-7,10-11,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 360.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).