tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate

C17H29NO5 — CID 90364624

IUPACtert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate
SMILESC=CCOCC(COC=C)(COCC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO5/c1-7-10-21-13-17(12-20-9-3,14-22-11-8-2)18-15(19)23-16(4,5)6/h7-9H,1-3,10-14H2,4-6H3,(H,18,19)
InChIKeyVEXFXVOBTJTDHX-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.82
Rot. Bonds12

About tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate

tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate (PubChem CID 90364624) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate
PubChem CID90364624
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Nametert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate
SMILESC=CCOCC(COC=C)(COCC=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO5/c1-7-10-21-13-17(12-20-9-3,14-22-11-8-2)18-15(19)23-16(4,5)6/h7-9H,1-3,10-14H2,4-6H3,(H,18,19)
InChIKeyVEXFXVOBTJTDHX-UHFFFAOYSA-N
XLogP2.82
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1,3-bis[3-(3-amino-3-oxopropoxy)propoxy]-2-[3-(3-amino-3-oxopropoxy)propoxymethyl]propan-2-yl]carbamate
CID 162468025
tert-butyl N-(2-methyl-1-oxobut-3-en-2-yl)carbamate
CID 71437506
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 53398095
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-prop-2-enoxybutanoate
CID 175182678
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-4-enoate
CID 57372807
tert-butyl N-(1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl)carbamate
CID 20744613
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615
tert-butyl N-[methyl(prop-2-enyl)amino]carbamate
CID 177168353
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate (CID 90364624) is tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate is C=CCOCC(COC=C)(COCC=C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate?
The InChIKey is VEXFXVOBTJTDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-7-10-21-13-17(12-20-9-3,14-22-11-8-2)18-15(19)23-16(4,5)6/h7-9H,1-3,10-14H2,4-6H3,(H,18,19).
What are the key properties of tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate?
tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 2.82, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-ethenoxy-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-2-yl]carbamate is sourced from PubChem (CID 90364624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).