4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide

C19H36N4O2 — CID 47056235

IUPAC4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
SMILESCN(C)C1(CNC(=O)CCCNC(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C19H36N4O2/c1-23(2)19(12-6-7-13-19)15-21-17(24)11-8-14-20-18(25)22-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeyZBHRDDXTOOUGPP-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.39
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide (PubChem CID 47056235) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
PubChem CID47056235
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
SMILESCN(C)C1(CNC(=O)CCCNC(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C19H36N4O2/c1-23(2)19(12-6-7-13-19)15-21-17(24)11-8-14-20-18(25)22-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeyZBHRDDXTOOUGPP-UHFFFAOYSA-N
XLogP2.39
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
2-(cyclopentylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
CID 60687122
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915214
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 51081511
N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
CID 134056980
cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-2-ylpropanamide
CID 83110283
N-[(2S)-1-aminopropan-2-yl]-4-(cyclohexylcarbamoylamino)butanamide;hydrochloride
CID 120505486

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide (CID 47056235) is 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide is CN(C)C1(CNC(=O)CCCNC(=O)NC2CCCCC2)CCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
The InChIKey is ZBHRDDXTOOUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-23(2)19(12-6-7-13-19)15-21-17(24)11-8-14-20-18(25)22-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3,(H,21,24)(H2,20,22,25).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide has a molecular weight of 352.52 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide is sourced from PubChem (CID 47056235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).