3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

C20H30N2O3 — CID 111459566

IUPAC3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)14-22(4)18(24)16-9-7-8-15(12-16)17(23)21-13-20(25)10-5-6-11-20/h7-9,12,25H,5-6,10-11,13-14H2,1-4H3,(H,21,23)
InChIKeyHGHRJPAIAFFHPO-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.84
Rot. Bonds5

About 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 111459566) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID111459566
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C20H30N2O3/c1-19(2,3)14-22(4)18(24)16-9-7-8-15(12-16)17(23)21-13-20(25)10-5-6-11-20/h7-9,12,25H,5-6,10-11,13-14H2,1-4H3,(H,21,23)
InChIKeyHGHRJPAIAFFHPO-UHFFFAOYSA-N
XLogP2.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123540
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111463021
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 119568500

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 111459566) is 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is CN(CC(C)(C)C)C(=O)c1cccc(C(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is HGHRJPAIAFFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19(2,3)14-22(4)18(24)16-9-7-8-15(12-16)17(23)21-13-20(25)10-5-6-11-20/h7-9,12,25H,5-6,10-11,13-14H2,1-4H3,(H,21,23).
What are the key properties of 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111459566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).