butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate

C19H32N2O5 — CID 91725459

IUPACbutyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate
SMILESC=CCC(NC(=O)OCCCC)C(=O)NC(CC=C)C(=O)OCCCC
InChIInChI=1S/C19H32N2O5/c1-5-9-13-25-18(23)16(12-8-4)20-17(22)15(11-7-3)21-19(24)26-14-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRZVFEZYDHTVACG-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.86
Rot. Bonds14

About butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate

butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate (PubChem CID 91725459) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate.

Molecular Properties

Compound Namebutyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate
PubChem CID91725459
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Namebutyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate
SMILESC=CCC(NC(=O)OCCCC)C(=O)NC(CC=C)C(=O)OCCCC
InChIInChI=1S/C19H32N2O5/c1-5-9-13-25-18(23)16(12-8-4)20-17(22)15(11-7-3)21-19(24)26-14-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRZVFEZYDHTVACG-UHFFFAOYSA-N
XLogP2.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate?
The IUPAC name of butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate (CID 91725459) is butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate.
What is the SMILES notation for butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate?
The canonical SMILES for butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate is C=CCC(NC(=O)OCCCC)C(=O)NC(CC=C)C(=O)OCCCC.
What is the InChIKey of butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate?
The InChIKey is RZVFEZYDHTVACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-5-9-13-25-18(23)16(12-8-4)20-17(22)15(11-7-3)21-19(24)26-14-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate?
butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate has a molecular weight of 368.47 g/mol, XLogP of 2.86, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(butoxycarbonylamino)pent-4-enoylamino]pent-4-enoate is sourced from PubChem (CID 91725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).