3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide

C20H30N2O3 — CID 111463021

IUPAC3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)16-8-10-20(25,11-9-16)13-22-18(24)15-7-5-6-14(12-15)17(23)21-4/h5-7,12,16,25H,8-11,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZSVPFTGRPWCLFR-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.74
Rot. Bonds4

About 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide

3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 111463021) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID111463021
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)16-8-10-20(25,11-9-16)13-22-18(24)15-7-5-6-14(12-15)17(23)21-4/h5-7,12,16,25H,8-11,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyZSVPFTGRPWCLFR-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 65120362
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide
CID 141340385
3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111459566
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 111539116
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-cyano-1H-pyrrole-2-carboxamide
CID 111696532

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide (CID 111463021) is 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is ZSVPFTGRPWCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19(2,3)16-8-10-20(25,11-9-16)13-22-18(24)15-7-5-6-14(12-15)17(23)21-4/h5-7,12,16,25H,8-11,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide?
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111463021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).