N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C22H31N3O — CID 46408847

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccc(-n3cccc3)cc2)CCCCCC1
InChIInChI=1S/C22H31N3O/c1-24(2)22(13-5-3-4-6-14-22)18-23-21(26)17-19-9-11-20(12-10-19)25-15-7-8-16-25/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H,23,26)
InChIKeySYBKXTOWWBCWBH-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.79
Rot. Bonds6

About N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 46408847) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID46408847
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccc(-n3cccc3)cc2)CCCCCC1
InChIInChI=1S/C22H31N3O/c1-24(2)22(13-5-3-4-6-14-22)18-23-21(26)17-19-9-11-20(12-10-19)25-15-7-8-16-25/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H,23,26)
InChIKeySYBKXTOWWBCWBH-UHFFFAOYSA-N
XLogP3.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407605
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662
2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 120617410
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16559242
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 46408847) is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide is CN(C)C1(CNC(=O)Cc2ccc(-n3cccc3)cc2)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is SYBKXTOWWBCWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-24(2)22(13-5-3-4-6-14-22)18-23-21(26)17-19-9-11-20(12-10-19)25-15-7-8-16-25/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 353.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 46408847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).