hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate

C15H25NO4 — CID 91721396

IUPAChexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
SMILESC=CCOC(=O)NC(CC=C)C(=O)OCCCCCC
InChIInChI=1S/C15H25NO4/c1-4-7-8-9-12-19-14(17)13(10-5-2)16-15(18)20-11-6-3/h5-6,13H,2-4,7-12H2,1H3,(H,16,18)
InChIKeyCRHXHNDHDMSXKY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.97
Rot. Bonds11

About hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate

hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate (PubChem CID 91721396) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namehexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
PubChem CID91721396
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namehexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
SMILESC=CCOC(=O)NC(CC=C)C(=O)OCCCCCC
InChIInChI=1S/C15H25NO4/c1-4-7-8-9-12-19-14(17)13(10-5-2)16-15(18)20-11-6-3/h5-6,13H,2-4,7-12H2,1H3,(H,16,18)
InChIKeyCRHXHNDHDMSXKY-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-(hexoxycarbonylamino)pent-4-enoate
CID 91691970
pentyl 2-(octoxycarbonylamino)pent-4-enoate
CID 91736081
heptadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725443
pentadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725441
heptyl 2-(methoxycarbonylamino)pent-4-enoate
CID 91713240
heptadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725950
pentadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725948
heptadecyl 2-(prop-2-enoxycarbonylamino)hexanoate
CID 91725598
dodecyl 2-(prop-2-enoxycarbonylamino)octanoate
CID 91732520
nonyl 2-(prop-2-enoxycarbonylamino)pentanoate
CID 91722486
hexyl 2-(2,2-dimethylpropoxycarbonylamino)pent-4-enoate
CID 91696071
propyl 2-(propoxycarbonylamino)pent-4-enoate
CID 91722512

Frequently Asked Questions

What is the IUPAC name of hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate?
The IUPAC name of hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate (CID 91721396) is hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate?
The canonical SMILES for hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate is C=CCOC(=O)NC(CC=C)C(=O)OCCCCCC.
What is the InChIKey of hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate?
The InChIKey is CRHXHNDHDMSXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-7-8-9-12-19-14(17)13(10-5-2)16-15(18)20-11-6-3/h5-6,13H,2-4,7-12H2,1H3,(H,16,18).
What are the key properties of hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate?
hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate has a molecular weight of 283.37 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 91721396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).