3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide

C21H34N2O3 — CID 18155359

IUPAC3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
SMILESCOc1cc(CCC(=O)NCC2(N(C)C)CCCCCC2)cc(OC)c1
InChIInChI=1S/C21H34N2O3/c1-23(2)21(11-7-5-6-8-12-21)16-22-20(24)10-9-17-13-18(25-3)15-19(14-17)26-4/h13-15H,5-12,16H2,1-4H3,(H,22,24)
InChIKeyVTUOFVRUKRVMSP-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.41
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide

3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide (PubChem CID 18155359) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
PubChem CID18155359
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
SMILESCOc1cc(CCC(=O)NCC2(N(C)C)CCCCCC2)cc(OC)c1
InChIInChI=1S/C21H34N2O3/c1-23(2)21(11-7-5-6-8-12-21)16-22-20(24)10-9-17-13-18(25-3)15-19(14-17)26-4/h13-15H,5-12,16H2,1-4H3,(H,22,24)
InChIKeyVTUOFVRUKRVMSP-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 83108125
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide (CID 18155359) is 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide is COc1cc(CCC(=O)NCC2(N(C)C)CCCCCC2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
The InChIKey is VTUOFVRUKRVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-23(2)21(11-7-5-6-8-12-21)16-22-20(24)10-9-17-13-18(25-3)15-19(14-17)26-4/h13-15H,5-12,16H2,1-4H3,(H,22,24).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide?
3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide has a molecular weight of 362.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide is sourced from PubChem (CID 18155359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).