3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide

C19H29ClN2O — CID 24647173

IUPAC3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCc2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C19H29ClN2O/c1-22(2)19(13-5-3-4-6-14-19)15-21-18(23)12-9-16-7-10-17(20)11-8-16/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H,21,23)
InChIKeyOIMSPNGGGDXYFT-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.04
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide

3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide (PubChem CID 24647173) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
PubChem CID24647173
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCc2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C19H29ClN2O/c1-22(2)19(13-5-3-4-6-14-19)15-21-18(23)12-9-16-7-10-17(20)11-8-16/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H,21,23)
InChIKeyOIMSPNGGGDXYFT-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 18155359
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 83108125
3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 77089318
1-(4-chlorophenyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea
CID 8771058
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408847
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide (CID 24647173) is 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide is CN(C)C1(CNC(=O)CCc2ccc(Cl)cc2)CCCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
The InChIKey is OIMSPNGGGDXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-22(2)19(13-5-3-4-6-14-19)15-21-18(23)12-9-16-7-10-17(20)11-8-16/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide has a molecular weight of 336.91 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide is sourced from PubChem (CID 24647173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).