N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide

C23H30N2O2 — CID 4781249

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(COc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C23H30N2O2/c1-25(2)23(15-7-4-8-16-23)18-24-22(26)20-13-11-19(12-14-20)17-27-21-9-5-3-6-10-21/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,24,26)
InChIKeyBRIGMNGTFVJBKD-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.26
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide (PubChem CID 4781249) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
PubChem CID4781249
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(COc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C23H30N2O2/c1-25(2)23(15-7-4-8-16-23)18-24-22(26)20-13-11-19(12-14-20)17-27-21-9-5-3-6-10-21/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,24,26)
InChIKeyBRIGMNGTFVJBKD-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
CID 167985383
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
4-[[[4-(phenoxymethyl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120541584
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
4-phenylmethoxy-N-propylbenzamide
CID 4958389
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide (CID 4781249) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide is CN(C)C1(CNC(=O)c2ccc(COc3ccccc3)cc2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide?
The InChIKey is BRIGMNGTFVJBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-25(2)23(15-7-4-8-16-23)18-24-22(26)20-13-11-19(12-14-20)17-27-21-9-5-3-6-10-21/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,24,26).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 4781249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).