2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate

C18H24N2O4 — CID 59049064

IUPAC2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate
SMILESC=CCCOC(=O)Nc1ccc(C)c(NC(=O)OCC(C)C=C)c1
InChIInChI=1S/C18H24N2O4/c1-5-7-10-23-17(21)19-15-9-8-14(4)16(11-15)20-18(22)24-12-13(3)6-2/h5-6,8-9,11,13H,1-2,7,10,12H2,3-4H3,(H,19,21)(H,20,22)
InChIKeyBRKCAJQLRMYLBV-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.49
Rot. Bonds8

About 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate

2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate (PubChem CID 59049064) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate
PubChem CID59049064
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate
SMILESC=CCCOC(=O)Nc1ccc(C)c(NC(=O)OCC(C)C=C)c1
InChIInChI=1S/C18H24N2O4/c1-5-7-10-23-17(21)19-15-9-8-14(4)16(11-15)20-18(22)24-12-13(3)6-2/h5-6,8-9,11,13H,1-2,7,10,12H2,3-4H3,(H,19,21)(H,20,22)
InChIKeyBRKCAJQLRMYLBV-UHFFFAOYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl N-[3-(2-aminoethoxycarbonylamino)-4-methylphenyl]carbamate;ethane;molecular hydrogen
CID 156808117
2-[[5-(hydroxyamino)-2-methylphenyl]carbamoyloxy]ethyl prop-2-enoate
CID 177169829
(4-prop-2-enylcyclohexyl)methyl N-[2-methyl-5-[(4-prop-2-enylcyclohexyl)methoxycarbonylamino]phenyl]carbamate
CID 146341802
2-azidoethyl N-[3-(2-azidoethoxycarbonylamino)-4-methylphenyl]carbamate
CID 90222016
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
2-O,4-O-bis(2-hydroxybutyl) 1-O,5-O-dipropyl benzene-1,2,4,5-tetracarboxylate;propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate
CID 159322744
2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate
CID 6437504
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxycarbonylamino)-4-methylphenyl]carbamate
CID 102261287
[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl] N-[2-methyl-5-[[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butoxy]carbonylamino]phenyl]carbamate
CID 154181812
4-ethenoxybutyl N-[4-(4-ethenoxybutoxycarbonylamino)-2-methylphenyl]carbamate
CID 59319780
2-methylpropyl N-(5-carbamothioyl-2-methylphenyl)carbamate
CID 55037007
2-[(5-amino-2-methylphenyl)carbamoyloxy]ethyl prop-2-enoate
CID 177169834

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate?
The IUPAC name of 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate (CID 59049064) is 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate?
The canonical SMILES for 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate is C=CCCOC(=O)Nc1ccc(C)c(NC(=O)OCC(C)C=C)c1.
What is the InChIKey of 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate?
The InChIKey is BRKCAJQLRMYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-7-10-23-17(21)19-15-9-8-14(4)16(11-15)20-18(22)24-12-13(3)6-2/h5-6,8-9,11,13H,1-2,7,10,12H2,3-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate?
2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-enyl N-[5-(but-3-enoxycarbonylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 59049064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).