N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide

C21H32N2O3 — CID 133132214

IUPACN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)N[C@@H]2CC[C@@H]2NC2CCCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-25-17-9-12-20(26-2)15(13-17)14-21(24)23-19-11-10-18(19)22-16-7-5-3-4-6-8-16/h9,12-13,16,18-19,22H,3-8,10-11,14H2,1-2H3,(H,23,24)/t18-,19+/m0/s1
InChIKeyBGLDBZNSUAOJGN-RBUKOAKNSA-N
MW360.50 g/mol
LogP3.21
Rot. Bonds7

About N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide

N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 133132214) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID133132214
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)N[C@@H]2CC[C@@H]2NC2CCCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-25-17-9-12-20(26-2)15(13-17)14-21(24)23-19-11-10-18(19)22-16-7-5-3-4-6-8-16/h9,12-13,16,18-19,22H,3-8,10-11,14H2,1-2H3,(H,23,24)/t18-,19+/m0/s1
InChIKeyBGLDBZNSUAOJGN-RBUKOAKNSA-N
XLogP3.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclopentyl-2-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 110767613
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 133132214) is N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)N[C@@H]2CC[C@@H]2NC2CCCCCC2)c1.
What is the InChIKey of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is BGLDBZNSUAOJGN-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-17-9-12-20(26-2)15(13-17)14-21(24)23-19-11-10-18(19)22-16-7-5-3-4-6-8-16/h9,12-13,16,18-19,22H,3-8,10-11,14H2,1-2H3,(H,23,24)/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 133132214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).