N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C25H34N2O4 — CID 11059011

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H34N2O4/c1-27(2)25(13-9-6-10-14-25)18-26-24(28)20-15-21(29-3)23(22(16-20)30-4)31-17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16H,6,9-10,13-14,17-18H2,1-4H3,(H,26,28)
InChIKeyLZUPBAJBKIDDAG-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.28
Rot. Bonds9

About N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 11059011) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID11059011
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H34N2O4/c1-27(2)25(13-9-6-10-14-25)18-26-24(28)20-15-21(29-3)23(22(16-20)30-4)31-17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16H,6,9-10,13-14,17-18H2,1-4H3,(H,26,28)
InChIKeyLZUPBAJBKIDDAG-UHFFFAOYSA-N
XLogP4.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5577
Troxipide
CID 5597
Itopride
CID 3792
Trimetozine
CID 12478
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
Trocimine
CID 26650
Capobenic Acid
CID 30627
Moxilubant
CID 9955657
Benzamide, N-furfuryl-3,4,5-trimethoxy-
CID 43247
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 11059011) is N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is LZUPBAJBKIDDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-27(2)25(13-9-6-10-14-25)18-26-24(28)20-15-21(29-3)23(22(16-20)30-4)31-17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16H,6,9-10,13-14,17-18H2,1-4H3,(H,26,28).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 426.56 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 11059011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).