2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate

C15H29N3O5S — CID 144569642

IUPAC2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate
SMILESC=CC(=O)OCCNC(N)=O.CC(C)CCOC(=O)NCCCS
InChIInChI=1S/C9H19NO2S.C6H10N2O3/c1-8(2)4-6-12-9(11)10-5-3-7-13;1-2-5(9)11-4-3-8-6(7)10/h8,13H,3-7H2,1-2H3,(H,10,11);2H,1,3-4H2,(H3,7,8,10)
InChIKeyDXDQOJFCNFMRTE-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.46
Rot. Bonds10

About 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate

2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate (PubChem CID 144569642) has the molecular formula C15H29N3O5S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate.

Molecular Properties

Compound Name2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate
PubChem CID144569642
Molecular FormulaC15H29N3O5S
Molecular Weight363.48 g/mol
Exact Mass363.18
IUPAC Name2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate
SMILESC=CC(=O)OCCNC(N)=O.CC(C)CCOC(=O)NCCCS
InChIInChI=1S/C9H19NO2S.C6H10N2O3/c1-8(2)4-6-12-9(11)10-5-3-7-13;1-2-5(9)11-4-3-8-6(7)10/h8,13H,3-7H2,1-2H3,(H,10,11);2H,1,3-4H2,(H3,7,8,10)
InChIKeyDXDQOJFCNFMRTE-UHFFFAOYSA-N
XLogP1.46
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
2-(3-prop-2-enoyloxypropylcarbamoyloxy)ethyl 2-methylbutanoate
CID 167317155
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 58252677
methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)
CID 163832775

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate?
The IUPAC name of 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate (CID 144569642) is 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate.
What is the SMILES notation for 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate?
The canonical SMILES for 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate is C=CC(=O)OCCNC(N)=O.CC(C)CCOC(=O)NCCCS.
What is the InChIKey of 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate?
The InChIKey is DXDQOJFCNFMRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S.C6H10N2O3/c1-8(2)4-6-12-9(11)10-5-3-7-13;1-2-5(9)11-4-3-8-6(7)10/h8,13H,3-7H2,1-2H3,(H,10,11);2H,1,3-4H2,(H3,7,8,10).
What are the key properties of 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate?
2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate has a molecular weight of 363.48 g/mol, XLogP of 1.46, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)ethyl prop-2-enoate;3-methylbutyl N-(3-sulfanylpropyl)carbamate is sourced from PubChem (CID 144569642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).