molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide

C19H38N2O5 — CID 169159539

IUPACmolecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
SMILESCCC(=O)NCCOCCOCCC(=O)NC1CCC(C(=O)CC)CC1.[H][H].[H][H]
InChIInChI=1S/C19H34N2O5.2H2/c1-3-17(22)15-5-7-16(8-6-15)21-19(24)9-11-25-13-14-26-12-10-20-18(23)4-2;;/h15-16H,3-14H2,1-2H3,(H,20,23)(H,21,24);2*1H
InChIKeyNDIPTJMRKHYLFQ-UHFFFAOYSA-N
MW374.52 g/mol
LogP2.08
Rot. Bonds13

About molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide

molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide (PubChem CID 169159539) has the molecular formula C19H38N2O5 and a molecular weight of 374.52 g/mol. Its IUPAC name is molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide.

Molecular Properties

Compound Namemolecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
PubChem CID169159539
Molecular FormulaC19H38N2O5
Molecular Weight374.52 g/mol
Exact Mass374.28
IUPAC Namemolecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
SMILESCCC(=O)NCCOCCOCCC(=O)NC1CCC(C(=O)CC)CC1.[H][H].[H][H]
InChIInChI=1S/C19H34N2O5.2H2/c1-3-17(22)15-5-7-16(8-6-15)21-19(24)9-11-25-13-14-26-12-10-20-18(23)4-2;;/h15-16H,3-14H2,1-2H3,(H,20,23)(H,21,24);2*1H
InChIKeyNDIPTJMRKHYLFQ-UHFFFAOYSA-N
XLogP2.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide
CID 178126244
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
CID 169159604

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide?
The IUPAC name of molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide (CID 169159539) is molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide.
What is the SMILES notation for molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide?
The canonical SMILES for molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide is CCC(=O)NCCOCCOCCC(=O)NC1CCC(C(=O)CC)CC1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide?
The InChIKey is NDIPTJMRKHYLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5.2H2/c1-3-17(22)15-5-7-16(8-6-15)21-19(24)9-11-25-13-14-26-12-10-20-18(23)4-2;;/h15-16H,3-14H2,1-2H3,(H,20,23)(H,21,24);2*1H.
What are the key properties of molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide?
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide has a molecular weight of 374.52 g/mol, XLogP of 2.08, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide is sourced from PubChem (CID 169159539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).