molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide

C20H40N2O4 — CID 178126244

IUPACmolecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide
SMILESCCCOCCCNC(=O)CCCC(=O)NC1CCC(C(=O)CC)CC1.[H][H].[H][H]
InChIInChI=1S/C20H36N2O4.2H2/c1-3-14-26-15-6-13-21-19(24)7-5-8-20(25)22-17-11-9-16(10-12-17)18(23)4-2;;/h16-17H,3-15H2,1-2H3,(H,21,24)(H,22,25);2*1H
InChIKeyFDRZZYYNHGAWNK-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.24
Rot. Bonds13

About molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide

molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide (PubChem CID 178126244) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide.

Molecular Properties

Compound Namemolecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide
PubChem CID178126244
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Namemolecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide
SMILESCCCOCCCNC(=O)CCCC(=O)NC1CCC(C(=O)CC)CC1.[H][H].[H][H]
InChIInChI=1S/C20H36N2O4.2H2/c1-3-14-26-15-6-13-21-19(24)7-5-8-20(25)22-17-11-9-16(10-12-17)18(23)4-2;;/h16-17H,3-15H2,1-2H3,(H,21,24)(H,22,25);2*1H
InChIKeyFDRZZYYNHGAWNK-UHFFFAOYSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
N'-(3-propoxypropyl)butanediamide
CID 153375512
N-cyclopropyl-4-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111222561

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide?
The IUPAC name of molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide (CID 178126244) is molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide.
What is the SMILES notation for molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide?
The canonical SMILES for molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide is CCCOCCCNC(=O)CCCC(=O)NC1CCC(C(=O)CC)CC1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide?
The InChIKey is FDRZZYYNHGAWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4.2H2/c1-3-14-26-15-6-13-21-19(24)7-5-8-20(25)22-17-11-9-16(10-12-17)18(23)4-2;;/h16-17H,3-15H2,1-2H3,(H,21,24)(H,22,25);2*1H.
What are the key properties of molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide?
molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide has a molecular weight of 372.55 g/mol, XLogP of 3.24, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide is sourced from PubChem (CID 178126244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).