2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate

C14H25N3O5 — CID 144569647

IUPAC2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)N(C)CCOC(=O)NCCCC
InChIInChI=1S/C14H25N3O5/c1-4-6-7-16-14(20)22-11-9-17(3)13(19)15-8-10-21-12(18)5-2/h5H,2,4,6-11H2,1,3H3,(H,15,19)(H,16,20)
InChIKeyMGPRFCXQUCSRMM-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.88
Rot. Bonds10

About 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate

2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate (PubChem CID 144569647) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate
PubChem CID144569647
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Name2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)N(C)CCOC(=O)NCCCC
InChIInChI=1S/C14H25N3O5/c1-4-6-7-16-14(20)22-11-9-17(3)13(19)15-8-10-21-12(18)5-2/h5H,2,4,6-11H2,1,3H3,(H,15,19)(H,16,20)
InChIKeyMGPRFCXQUCSRMM-UHFFFAOYSA-N
XLogP0.88
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(3-prop-2-enoyloxypropoxycarbonylamino)ethyl butanoate
CID 88854736
2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide
CID 90146010
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-[3-[[dimethyl-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propyl]silyl]oxy-dimethylsilyl]propylcarbamoyloxy]ethyl prop-2-enoate
CID 140879603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate (CID 144569647) is 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)N(C)CCOC(=O)NCCCC.
What is the InChIKey of 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate?
The InChIKey is MGPRFCXQUCSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-4-6-7-16-14(20)22-11-9-17(3)13(19)15-8-10-21-12(18)5-2/h5H,2,4,6-11H2,1,3H3,(H,15,19)(H,16,20).
What are the key properties of 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate?
2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate has a molecular weight of 315.37 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butylcarbamoyloxy)ethyl-methylcarbamoyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 144569647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).