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

C19H28N2O3 — CID 71910915

IUPAC1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)20-16(22)14-7-9-15(10-8-14)17(23)21(4)13-19(24)11-5-6-12-19/h7-10,24H,5-6,11-13H2,1-4H3,(H,20,22)
InChIKeyHHZGNMDFHMIYPB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.59
Rot. Bonds4

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

1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 71910915) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID71910915
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)20-16(22)14-7-9-15(10-8-14)17(23)21(4)13-19(24)11-5-6-12-19/h7-10,24H,5-6,11-13H2,1-4H3,(H,20,22)
InChIKeyHHZGNMDFHMIYPB-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 115760175
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide
CID 115759787
6-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridazine-3-carboxamide
CID 114953290
4-N-[(4-bromothiophen-2-yl)methyl]-1-N-tert-butyl-4-N-methylbenzene-1,4-dicarboxamide
CID 48858058
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 114951144
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
3-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 105071494
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 114953077
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 114953078

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 71910915) is 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is CN(CC1(O)CCCC1)C(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is HHZGNMDFHMIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2,3)20-16(22)14-7-9-15(10-8-14)17(23)21(4)13-19(24)11-5-6-12-19/h7-10,24H,5-6,11-13H2,1-4H3,(H,20,22).
What are the key properties of 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 71910915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).