1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C18H26N2O3 — CID 109144578

IUPAC1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H26N2O3/c1-12(2)19-17(21)13-8-10-14(11-9-13)18(22)20-15-6-4-5-7-16(15)23-3/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRGDNIRWDJSGBIU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.96
Rot. Bonds5

About 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144578) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144578
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H26N2O3/c1-12(2)19-17(21)13-8-10-14(11-9-13)18(22)20-15-6-4-5-7-16(15)23-3/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRGDNIRWDJSGBIU-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144578) is 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is COc1ccccc1NC(=O)C1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is RGDNIRWDJSGBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)19-17(21)13-8-10-14(11-9-13)18(22)20-15-6-4-5-7-16(15)23-3/h4-7,12-14H,8-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).