1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide

C22H34N2O2 — CID 109150141

IUPAC1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C22H34N2O2/c1-4-15-24(16-5-2)22(26)19-13-11-18(12-14-19)21(25)23-20-10-8-7-9-17(20)6-3/h7-10,18-19H,4-6,11-16H2,1-3H3,(H,23,25)
InChIKeyMVYHDBTWDLWHIU-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.64
Rot. Bonds8

About 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide

1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide (PubChem CID 109150141) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
PubChem CID109150141
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C22H34N2O2/c1-4-15-24(16-5-2)22(26)19-13-11-18(12-14-19)21(25)23-20-10-8-7-9-17(20)6-3/h7-10,18-19H,4-6,11-16H2,1-3H3,(H,23,25)
InChIKeyMVYHDBTWDLWHIU-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
2-N-(2-ethylphenyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109140512
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide (CID 109150141) is 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide is CCCN(CCC)C(=O)C1CCC(C(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
The InChIKey is MVYHDBTWDLWHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-4-15-24(16-5-2)22(26)19-13-11-18(12-14-19)21(25)23-20-10-8-7-9-17(20)6-3/h7-10,18-19H,4-6,11-16H2,1-3H3,(H,23,25).
What are the key properties of 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).