N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide

C16H27NO6 — CID 178003832

IUPACN-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide
SMILESC#CCOCCOCCOCCOCC(=O)NCC(=O)CCC
InChIInChI=1S/C16H27NO6/c1-3-5-15(18)13-17-16(19)14-23-12-11-22-10-9-21-8-7-20-6-4-2/h2H,3,5-14H2,1H3,(H,17,19)
InChIKeyHDOWBGODSHEELE-UHFFFAOYSA-N
MW329.39 g/mol
LogP0.17
Rot. Bonds16

About N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide

N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide (PubChem CID 178003832) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide
PubChem CID178003832
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC NameN-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide
SMILESC#CCOCCOCCOCCOCC(=O)NCC(=O)CCC
InChIInChI=1S/C16H27NO6/c1-3-5-15(18)13-17-16(19)14-23-12-11-22-10-9-21-8-7-20-6-4-2/h2H,3,5-14H2,1H3,(H,17,19)
InChIKeyHDOWBGODSHEELE-UHFFFAOYSA-N
XLogP0.17
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(2-oxopentoxy)ethoxy]acetamide
CID 157484818
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide
CID 159054491
methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate
CID 153484901
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
CID 175090580
1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
methyl-bis[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-[2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]ethyl]azanium;2,2,2-trifluoroacetate
CID 176653293

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide?
The IUPAC name of N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide (CID 178003832) is N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide?
The canonical SMILES for N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide is C#CCOCCOCCOCCOCC(=O)NCC(=O)CCC.
What is the InChIKey of N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide?
The InChIKey is HDOWBGODSHEELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-3-5-15(18)13-17-16(19)14-23-12-11-22-10-9-21-8-7-20-6-4-2/h2H,3,5-14H2,1H3,(H,17,19).
What are the key properties of N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide?
N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide has a molecular weight of 329.39 g/mol, XLogP of 0.17, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 178003832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).