3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate

C16H28N2O4 — CID 139970837

IUPAC3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(CC(CCC)NC(C)=O)NC(C)=O
InChIInChI=1S/C16H28N2O4/c1-7-8-14(17-12(5)19)9-15(18-13(6)20)11(4)22-16(21)10(2)3/h11,14-15H,2,7-9H2,1,3-6H3,(H,17,19)(H,18,20)
InChIKeyRYHUUWIPBBSABO-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.69
Rot. Bonds9

About 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate

3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate (PubChem CID 139970837) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate
PubChem CID139970837
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(CC(CCC)NC(C)=O)NC(C)=O
InChIInChI=1S/C16H28N2O4/c1-7-8-14(17-12(5)19)9-15(18-13(6)20)11(4)22-16(21)10(2)3/h11,14-15H,2,7-9H2,1,3-6H3,(H,17,19)(H,18,20)
InChIKeyRYHUUWIPBBSABO-UHFFFAOYSA-N
XLogP1.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)octan-3-ylcarbamic acid
CID 87228615
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 175290626
2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
CID 154099219
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
3-(hydroxymethyl)heptan-2-yl 2-methylprop-2-enoate
CID 54259962
1-bromobutyl 2-methylprop-2-enoate
CID 87523903
[(2S)-2-acetamidopentyl] acetate
CID 14619274
[(2R)-2-acetamidopentyl] acetate
CID 10442452
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate (CID 139970837) is 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(CC(CCC)NC(C)=O)NC(C)=O.
What is the InChIKey of 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate?
The InChIKey is RYHUUWIPBBSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-7-8-14(17-12(5)19)9-15(18-13(6)20)11(4)22-16(21)10(2)3/h11,14-15H,2,7-9H2,1,3-6H3,(H,17,19)(H,18,20).
What are the key properties of 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate?
3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate has a molecular weight of 312.41 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamidooctan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139970837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).