3-carbamoylpentadecan-3-yl prop-2-enoate

C19H35NO3 — CID 141278138

IUPAC3-carbamoylpentadecan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C19H35NO3/c1-4-7-8-9-10-11-12-13-14-15-16-19(6-3,18(20)22)23-17(21)5-2/h5H,2,4,6-16H2,1,3H3,(H2,20,22)
InChIKeyOQVZGIRFKBGNEQ-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.66
Rot. Bonds15

About 3-carbamoylpentadecan-3-yl prop-2-enoate

3-carbamoylpentadecan-3-yl prop-2-enoate (PubChem CID 141278138) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is 3-carbamoylpentadecan-3-yl prop-2-enoate.

Molecular Properties

Compound Name3-carbamoylpentadecan-3-yl prop-2-enoate
PubChem CID141278138
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name3-carbamoylpentadecan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C19H35NO3/c1-4-7-8-9-10-11-12-13-14-15-16-19(6-3,18(20)22)23-17(21)5-2/h5H,2,4,6-16H2,1,3H3,(H2,20,22)
InChIKeyOQVZGIRFKBGNEQ-UHFFFAOYSA-N
XLogP4.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-carbamoylpentadecan-3-yl prop-2-enoate?
The IUPAC name of 3-carbamoylpentadecan-3-yl prop-2-enoate (CID 141278138) is 3-carbamoylpentadecan-3-yl prop-2-enoate.
What is the SMILES notation for 3-carbamoylpentadecan-3-yl prop-2-enoate?
The canonical SMILES for 3-carbamoylpentadecan-3-yl prop-2-enoate is C=CC(=O)OC(CC)(CCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 3-carbamoylpentadecan-3-yl prop-2-enoate?
The InChIKey is OQVZGIRFKBGNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-4-7-8-9-10-11-12-13-14-15-16-19(6-3,18(20)22)23-17(21)5-2/h5H,2,4,6-16H2,1,3H3,(H2,20,22).
What are the key properties of 3-carbamoylpentadecan-3-yl prop-2-enoate?
3-carbamoylpentadecan-3-yl prop-2-enoate has a molecular weight of 325.49 g/mol, XLogP of 4.66, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoylpentadecan-3-yl prop-2-enoate is sourced from PubChem (CID 141278138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).