molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide

C16H35NO5 — CID 155739531

IUPACmolecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
SMILESCC(C)OCCCC(=O)NCCOCCOCCOC(C)C.[H][H]
InChIInChI=1S/C16H33NO5.H2/c1-14(2)21-8-5-6-16(18)17-7-9-19-10-11-20-12-13-22-15(3)4;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyMAQMGICDNMMKLY-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.01
Rot. Bonds15

About molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide

molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide (PubChem CID 155739531) has the molecular formula C16H35NO5 and a molecular weight of 321.46 g/mol. Its IUPAC name is molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide.

Molecular Properties

Compound Namemolecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
PubChem CID155739531
Molecular FormulaC16H35NO5
Molecular Weight321.46 g/mol
Exact Mass321.25
IUPAC Namemolecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
SMILESCC(C)OCCCC(=O)NCCOCCOCCOC(C)C.[H][H]
InChIInChI=1S/C16H33NO5.H2/c1-14(2)21-8-5-6-16(18)17-7-9-19-10-11-20-12-13-22-15(3)4;/h14-15H,5-13H2,1-4H3,(H,17,18);1H
InChIKeyMAQMGICDNMMKLY-UHFFFAOYSA-N
XLogP2.01
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
CID 177338040
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide?
The IUPAC name of molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide (CID 155739531) is molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide.
What is the SMILES notation for molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide?
The canonical SMILES for molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide is CC(C)OCCCC(=O)NCCOCCOCCOC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide?
The InChIKey is MAQMGICDNMMKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO5.H2/c1-14(2)21-8-5-6-16(18)17-7-9-19-10-11-20-12-13-22-15(3)4;/h14-15H,5-13H2,1-4H3,(H,17,18);1H.
What are the key properties of molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide?
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide has a molecular weight of 321.46 g/mol, XLogP of 2.01, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide is sourced from PubChem (CID 155739531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).