(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol

C27H54N2O4 — CID 142830492

IUPAC(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol
SMILESC/C=C\C.CC.CC(C)O.CCC.CCN(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3.C4H8.C3H8O.C3H8.C2H6/c1-5-17(14(18)20-15(2,3)4)10-11-19-13-8-6-12(16)7-9-13;1-3-4-2;1-3(2)4;1-3-2;1-2/h6-9H,5,10-11,16H2,1-4H3;2*3-4H,1-2H3;3H2,1-2H3;1-2H3/b;4-3-;;;
InChIKeyKXDGOSFHYWYJBM-BXRJXUPASA-N
MW470.74 g/mol
LogP7.32
Rot. Bonds5

About (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol

(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol (PubChem CID 142830492) has the molecular formula C27H54N2O4 and a molecular weight of 470.74 g/mol. Its IUPAC name is (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol.

Molecular Properties

Compound Name(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol
PubChem CID142830492
Molecular FormulaC27H54N2O4
Molecular Weight470.74 g/mol
Exact Mass470.41
IUPAC Name(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol
SMILESC/C=C\C.CC.CC(C)O.CCC.CCN(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3.C4H8.C3H8O.C3H8.C2H6/c1-5-17(14(18)20-15(2,3)4)10-11-19-13-8-6-12(16)7-9-13;1-3-4-2;1-3(2)4;1-3-2;1-2/h6-9H,5,10-11,16H2,1-4H3;2*3-4H,1-2H3;3H2,1-2H3;1-2H3/b;4-3-;;;
InChIKeyKXDGOSFHYWYJBM-BXRJXUPASA-N
XLogP7.32
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
CID 142449240
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256
2-[3-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]acetic acid
CID 155669783
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
tert-butyl N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-N-ethylcarbamate
CID 111096921
tert-butyl N-[3-(4-aminophenyl)-3-hydroxypropyl]-N-propylcarbamate
CID 123841840
tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-(4-iodophenoxy)ethyl]carbamate
CID 67097763
tert-butyl N-[(E)-4-(dimethylamino)-2-methyl-4-oxobut-2-enyl]-N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 145199584
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]carbamate
CID 54547220
tert-butyl N-[2-[4-[[(E)-[amino(cyclohexylmethylsulfanyl)methylidene]carbamothioyl]amino]phenoxy]ethyl]-N-ethylcarbamate
CID 142830504

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol?
The IUPAC name of (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol (CID 142830492) is (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol.
What is the SMILES notation for (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol?
The canonical SMILES for (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol is C/C=C\C.CC.CC(C)O.CCC.CCN(CCOc1ccc(N)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol?
The InChIKey is KXDGOSFHYWYJBM-BXRJXUPASA-N. The full InChI is InChI=1S/C15H24N2O3.C4H8.C3H8O.C3H8.C2H6/c1-5-17(14(18)20-15(2,3)4)10-11-19-13-8-6-12(16)7-9-13;1-3-4-2;1-3(2)4;1-3-2;1-2/h6-9H,5,10-11,16H2,1-4H3;2*3-4H,1-2H3;3H2,1-2H3;1-2H3/b;4-3-;;;.
What are the key properties of (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol?
(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol has a molecular weight of 470.74 g/mol, XLogP of 7.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol is sourced from PubChem (CID 142830492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).