2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide

C22H34N4O3 — CID 86955767

IUPAC2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NC(=O)CCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C22H34N4O3/c1-16-10-9-13-18(20(16)21(28)23-2)26-19(27)14-7-4-8-15-24-22(29)25-17-11-5-3-6-12-17/h9-10,13,17H,3-8,11-12,14-15H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29)
InChIKeyGFHKTVVRGDEHEC-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.49
Rot. Bonds9

About 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide

2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide (PubChem CID 86955767) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide
PubChem CID86955767
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)cccc1NC(=O)CCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C22H34N4O3/c1-16-10-9-13-18(20(16)21(28)23-2)26-19(27)14-7-4-8-15-24-22(29)25-17-11-5-3-6-12-17/h9-10,13,17H,3-8,11-12,14-15H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29)
InChIKeyGFHKTVVRGDEHEC-UHFFFAOYSA-N
XLogP3.49
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
CID 120568203
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
N-cyclohexyl-2-(dodecanoylamino)benzamide
CID 25137451
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
(3R)-3-cyclohexyl-3-methyl-4-[3-methyl-2-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 99773757
4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55934321

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide?
The IUPAC name of 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide (CID 86955767) is 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide.
What is the SMILES notation for 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide?
The canonical SMILES for 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide is CNC(=O)c1c(C)cccc1NC(=O)CCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide?
The InChIKey is GFHKTVVRGDEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16-10-9-13-18(20(16)21(28)23-2)26-19(27)14-7-4-8-15-24-22(29)25-17-11-5-3-6-12-17/h9-10,13,17H,3-8,11-12,14-15H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29).
What are the key properties of 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide?
2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 3.49, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide is sourced from PubChem (CID 86955767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).