2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate

C14H21NO4 — CID 146516075

IUPAC2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C=C)CNC(C)(C)OC(=O)C=C
InChIInChI=1S/C14H21NO4/c1-7-11(16)18-13(4,5)15-10-14(6,9-3)19-12(17)8-2/h7-9,15H,1-3,10H2,4-6H3
InChIKeyMSPNTTDJWQDUTI-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.72
Rot. Bonds8

About 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate

2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate (PubChem CID 146516075) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate
PubChem CID146516075
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C=C)CNC(C)(C)OC(=O)C=C
InChIInChI=1S/C14H21NO4/c1-7-11(16)18-13(4,5)15-10-14(6,9-3)19-12(17)8-2/h7-9,15H,1-3,10H2,4-6H3
InChIKeyMSPNTTDJWQDUTI-UHFFFAOYSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132
(1-methoxysulfonyl-2-methylbut-3-en-2-yl) prop-2-enoate
CID 170162333
(2-methyl-1-methylsulfanylpropan-2-yl) prop-2-enoate
CID 20643698
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate;methanol
CID 174833528
2-hydroxypropan-2-yl prop-2-enoate
CID 22726323
tert-butyl prop-2-enoate;methyl prop-2-enoate
CID 174394001
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate?
The IUPAC name of 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate (CID 146516075) is 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate.
What is the SMILES notation for 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate?
The canonical SMILES for 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)(C=C)CNC(C)(C)OC(=O)C=C.
What is the InChIKey of 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate?
The InChIKey is MSPNTTDJWQDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-7-11(16)18-13(4,5)15-10-14(6,9-3)19-12(17)8-2/h7-9,15H,1-3,10H2,4-6H3.
What are the key properties of 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate?
2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate has a molecular weight of 267.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-prop-2-enoyloxybut-3-enyl)amino]propan-2-yl prop-2-enoate is sourced from PubChem (CID 146516075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).