1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide

C22H32N2O2 — CID 124805645

IUPAC1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C22H32N2O2/c1-15-7-3-5-9-19(15)23-21(25)17-11-13-18(14-12-17)22(26)24-20-10-6-4-8-16(20)2/h11-16,19-20H,3-10H2,1-2H3,(H,23,25)(H,24,26)/t15-,16-,19+,20+/m1/s1
InChIKeyMVTUQUDYXZAYQX-YKCBXCCJSA-N
MW356.51 g/mol
LogP4.30
Rot. Bonds4

About 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide (PubChem CID 124805645) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
PubChem CID124805645
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C22H32N2O2/c1-15-7-3-5-9-19(15)23-21(25)17-11-13-18(14-12-17)22(26)24-20-10-6-4-8-16(20)2/h11-16,19-20H,3-10H2,1-2H3,(H,23,25)(H,24,26)/t15-,16-,19+,20+/m1/s1
InChIKeyMVTUQUDYXZAYQX-YKCBXCCJSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-hydrazinyl-N-(2-methylcyclopentyl)benzamide
CID 63279138
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 24537639
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide (CID 124805645) is 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1.
What is the InChIKey of 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide?
The InChIKey is MVTUQUDYXZAYQX-YKCBXCCJSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-15-7-3-5-9-19(15)23-21(25)17-11-13-18(14-12-17)22(26)24-20-10-6-4-8-16(20)2/h11-16,19-20H,3-10H2,1-2H3,(H,23,25)(H,24,26)/t15-,16-,19+,20+/m1/s1.
What are the key properties of 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 124805645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).