N-(2,2-dipentoxyethyl)prop-2-enamide

C15H29NO3 — CID 19746540

IUPACN-(2,2-dipentoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(OCCCCC)OCCCCC
InChIInChI=1S/C15H29NO3/c1-4-7-9-11-18-15(13-16-14(17)6-3)19-12-10-8-5-2/h6,15H,3-5,7-13H2,1-2H3,(H,16,17)
InChIKeyJCBAZPHMSOWNOW-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.03
Rot. Bonds13

About N-(2,2-dipentoxyethyl)prop-2-enamide

N-(2,2-dipentoxyethyl)prop-2-enamide (PubChem CID 19746540) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2,2-dipentoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dipentoxyethyl)prop-2-enamide
PubChem CID19746540
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(2,2-dipentoxyethyl)prop-2-enamide
SMILESC=CC(=O)NCC(OCCCCC)OCCCCC
InChIInChI=1S/C15H29NO3/c1-4-7-9-11-18-15(13-16-14(17)6-3)19-12-10-8-5-2/h6,15H,3-5,7-13H2,1-2H3,(H,16,17)
InChIKeyJCBAZPHMSOWNOW-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-Dimethoxyethyl)-2-propenamide
CID 9898899
N-[2-(1-hydroxyethoxy)ethyl]prop-2-enamide
CID 23167369
N-(2-(1-(allyloxy)ethoxy)ethyl)acrylamide
CID 132577956
Methacrylamidoacetaldehyde di-n-pentyl acetal
CID 19745758
N-(2-((2-methyltetrahydrofuran-2-yl)oxy)ethyl)acrylamide
CID 145997433
N-(1,2,2-Triethoxyethyl)prop-2-enamide
CID 13982976
N-(4,4-diethoxybutyl)prop-2-enamide
CID 14008504
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
N-(2-ethoxy-2-hydroxyethyl)prop-2-enamide
CID 18477248
Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-(1,2,2-tributoxyethyl)prop-2-enamide
CID 18690235
N-(2-butoxyethyl)prop-2-enamide
CID 18970995

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dipentoxyethyl)prop-2-enamide?
The IUPAC name of N-(2,2-dipentoxyethyl)prop-2-enamide (CID 19746540) is N-(2,2-dipentoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2,2-dipentoxyethyl)prop-2-enamide?
The canonical SMILES for N-(2,2-dipentoxyethyl)prop-2-enamide is C=CC(=O)NCC(OCCCCC)OCCCCC.
What is the InChIKey of N-(2,2-dipentoxyethyl)prop-2-enamide?
The InChIKey is JCBAZPHMSOWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-7-9-11-18-15(13-16-14(17)6-3)19-12-10-8-5-2/h6,15H,3-5,7-13H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dipentoxyethyl)prop-2-enamide?
N-(2,2-dipentoxyethyl)prop-2-enamide has a molecular weight of 271.40 g/mol, XLogP of 3.03, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dipentoxyethyl)prop-2-enamide is sourced from PubChem (CID 19746540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).