1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

C24H28N4O4 — CID 17233453

IUPAC1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)NC)c3)CC2)c1
InChIInChI=1S/C24H28N4O4/c1-25-21(29)17-5-3-7-19(13-17)27-23(31)15-9-11-16(12-10-15)24(32)28-20-8-4-6-18(14-20)22(30)26-2/h3-8,13-16H,9-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyRCEWUXWKBZWYNZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.79
Rot. Bonds6

About 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 17233453) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID17233453
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)NC)c3)CC2)c1
InChIInChI=1S/C24H28N4O4/c1-25-21(29)17-5-3-7-19(13-17)27-23(31)15-9-11-16(12-10-15)24(32)28-20-8-4-6-18(14-20)22(30)26-2/h3-8,13-16H,9-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyRCEWUXWKBZWYNZ-UHFFFAOYSA-N
XLogP2.79
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide (CID 17233453) is 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is CNC(=O)c1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C(=O)NC)c3)CC2)c1.
What is the InChIKey of 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is RCEWUXWKBZWYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-25-21(29)17-5-3-7-19(13-17)27-23(31)15-9-11-16(12-10-15)24(32)28-20-8-4-6-18(14-20)22(30)26-2/h3-8,13-16H,9-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 17233453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).