N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide

C18H28N2O4 — CID 39915609

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-20(2)18(8-6-7-9-18)12-19-17(21)13-10-14(22-3)16(24-5)15(11-13)23-4/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKeyDUIRTXBFKZHQDM-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.32
Rot. Bonds7

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 39915609) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID39915609
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-20(2)18(8-6-7-9-18)12-19-17(21)13-10-14(22-3)16(24-5)15(11-13)23-4/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKeyDUIRTXBFKZHQDM-UHFFFAOYSA-N
XLogP2.32
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
N-[(2S)-1-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methoxy-1-oxopropan-2-yl]-4-[(4-fluorophenyl)methoxy]-3,5-dimethoxybenzamide;hydrochloride
CID 11548658
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide (CID 39915609) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OC.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DUIRTXBFKZHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(2)18(8-6-7-9-18)12-19-17(21)13-10-14(22-3)16(24-5)15(11-13)23-4/h10-11H,6-9,12H2,1-5H3,(H,19,21).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 336.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 39915609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).