3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

C18H26N2O3 — CID 111460252

IUPAC3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C18H26N2O3/c1-3-20(2)18(23)15-8-5-7-14(11-15)17(22)19-12-13-6-4-9-16(21)10-13/h5,7-8,11,13,16,21H,3-4,6,9-10,12H2,1-2H3,(H,19,22)
InChIKeyBZJASINAJAIINP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.06
Rot. Bonds5

About 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 111460252) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID111460252
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C18H26N2O3/c1-3-20(2)18(23)15-8-5-7-14(11-15)17(22)19-12-13-6-4-9-16(21)10-13/h5,7-8,11,13,16,21H,3-4,6,9-10,12H2,1-2H3,(H,19,22)
InChIKeyBZJASINAJAIINP-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 106127994
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 124847238
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 111460252) is 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NCC2CCCC(O)C2)c1.
What is the InChIKey of 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is BZJASINAJAIINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-20(2)18(23)15-8-5-7-14(11-15)17(22)19-12-13-6-4-9-16(21)10-13/h5,7-8,11,13,16,21H,3-4,6,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111460252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).