N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C21H32N2O4 — CID 108958959

IUPACN-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C21H32N2O4/c1-21(2,20(25)23-16-8-6-5-7-9-16)19(24)22-13-12-15-10-11-17(26-3)18(14-15)27-4/h10-11,14,16H,5-9,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyAMLWENJURWBFQP-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.84
Rot. Bonds8

About N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108958959) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108958959
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C21H32N2O4/c1-21(2,20(25)23-16-8-6-5-7-9-16)19(24)22-13-12-15-10-11-17(26-3)18(14-15)27-4/h10-11,14,16H,5-9,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyAMLWENJURWBFQP-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclohexyl-2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111214677
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111214935
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108958959) is N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1ccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is AMLWENJURWBFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-21(2,20(25)23-16-8-6-5-7-9-16)19(24)22-13-12-15-10-11-17(26-3)18(14-15)27-4/h10-11,14,16H,5-9,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 376.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).