4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide

C20H28N2O3 — CID 109146947

IUPAC4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCN(C(=O)C1CCC(C(=O)NCC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-22(17-6-3-2-4-7-17)20(24)16-11-9-15(10-12-16)19(23)21-14-18-8-5-13-25-18/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,21,23)
InChIKeyQAWZCHZMQLVOCQ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.75
Rot. Bonds5

About 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide

4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109146947) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109146947
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCN(C(=O)C1CCC(C(=O)NCC2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-22(17-6-3-2-4-7-17)20(24)16-11-9-15(10-12-16)19(23)21-14-18-8-5-13-25-18/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,21,23)
InChIKeyQAWZCHZMQLVOCQ-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-phenylthiourea
CID 8620096
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018
1-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133540
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
4-N-(2-methylpropyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145227
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146924
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109146947) is 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide is CN(C(=O)C1CCC(C(=O)NCC2CCCO2)CC1)c1ccccc1.
What is the InChIKey of 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is QAWZCHZMQLVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-22(17-6-3-2-4-7-17)20(24)16-11-9-15(10-12-16)19(23)21-14-18-8-5-13-25-18/h2-4,6-7,15-16,18H,5,8-14H2,1H3,(H,21,23).
What are the key properties of 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide?
4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).