N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide

C32H42N4O4 — CID 43878588

IUPACN,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C32H42N4O4/c37-29(33-27-19-15-23(16-20-27)31(39)35-25-9-3-1-4-10-25)13-7-8-14-30(38)34-28-21-17-24(18-22-28)32(40)36-26-11-5-2-6-12-26/h15-22,25-26H,1-14H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyBWKTZPRMEPAKGN-UHFFFAOYSA-N
MW546.71 g/mol
LogP5.95
Rot. Bonds11

About N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide

N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide (PubChem CID 43878588) has the molecular formula C32H42N4O4 and a molecular weight of 546.71 g/mol. Its IUPAC name is N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
PubChem CID43878588
Molecular FormulaC32H42N4O4
Molecular Weight546.71 g/mol
Exact Mass546.32
IUPAC NameN,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C32H42N4O4/c37-29(33-27-19-15-23(16-20-27)31(39)35-25-9-3-1-4-10-25)13-7-8-14-30(38)34-28-21-17-24(18-22-28)32(40)36-26-11-5-2-6-12-26/h15-22,25-26H,1-14H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyBWKTZPRMEPAKGN-UHFFFAOYSA-N
XLogP5.95
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813756
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427359
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide (CID 43878588) is N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide is O=C(CCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide?
The InChIKey is BWKTZPRMEPAKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O4/c37-29(33-27-19-15-23(16-20-27)31(39)35-25-9-3-1-4-10-25)13-7-8-14-30(38)34-28-21-17-24(18-22-28)32(40)36-26-11-5-2-6-12-26/h15-22,25-26H,1-14H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40).
What are the key properties of N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide has a molecular weight of 546.71 g/mol, XLogP of 5.95, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 43878588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).