molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate

C14H24N2O4 — CID 145345564

IUPACmolecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N1CCCCCCC1=O.[H][H]
InChIInChI=1S/C14H22N2O4.H2/c1-11(2)13(18)20-10-8-15-14(19)16-9-6-4-3-5-7-12(16)17;/h1,3-10H2,2H3,(H,15,19);1H
InChIKeyCUFKKXKTYFZWSP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds4

About molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate

molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 145345564) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemolecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID145345564
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemolecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N1CCCCCCC1=O.[H][H]
InChIInChI=1S/C14H22N2O4.H2/c1-11(2)13(18)20-10-8-15-14(19)16-9-6-4-3-5-7-12(16)17;/h1,3-10H2,2H3,(H,15,19);1H
InChIKeyCUFKKXKTYFZWSP-UHFFFAOYSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(2-oxopyrrolidin-1-yl)pent-3-en-2-ylsulfanyl]propanoylamino]ethyl 2-methylprop-2-enoate
CID 89003596
2-[3-[[1-amino-2,2,3,3-tetramethyl-4-(2-oxopyrrolidin-1-yl)hex-4-enylidene]amino]propanoylamino]ethyl 2-methylprop-2-enoate
CID 89256551
2-[[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]piperidine-1-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 14669980
1-acetylazonan-2-one
CID 19035113
2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
CID 159625600
2-[3-(2-oxopyrrolidin-1-yl)propoxy]ethyl 2-methylprop-2-enoate
CID 139715962
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
1-acetylazepan-2-one;methane
CID 158348937
butyl 2-methylprop-2-enoate;cyclohexanone
CID 67714172
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
2-(2-methylprop-2-enoyloxy)ethyl pyrrolidine-1-carboxylate
CID 126725740

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate (CID 145345564) is molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N1CCCCCCC1=O.[H][H].
What is the InChIKey of molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is CUFKKXKTYFZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4.H2/c1-11(2)13(18)20-10-8-15-14(19)16-9-6-4-3-5-7-12(16)17;/h1,3-10H2,2H3,(H,15,19);1H.
What are the key properties of molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate?
molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 284.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 145345564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).