2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide

C18H28N2O3 — CID 16577758

IUPAC2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)C2CCCCCC2)cc(OC)c1
InChIInChI=1S/C18H28N2O3/c1-20(15-8-6-4-5-7-9-15)13-18(21)19-14-10-16(22-2)12-17(11-14)23-3/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyYJWYSNNUEJNORP-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.30
Rot. Bonds6

About 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide

2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 16577758) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID16577758
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)C2CCCCCC2)cc(OC)c1
InChIInChI=1S/C18H28N2O3/c1-20(15-8-6-4-5-7-9-15)13-18(21)19-14-10-16(22-2)12-17(11-14)23-3/h10-12,15H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyYJWYSNNUEJNORP-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60510265
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
CID 3597378
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide (CID 16577758) is 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C)C2CCCCCC2)cc(OC)c1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is YJWYSNNUEJNORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-20(15-8-6-4-5-7-9-15)13-18(21)19-14-10-16(22-2)12-17(11-14)23-3/h10-12,15H,4-9,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide?
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16577758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).