prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate

C15H20N2O4 — CID 102027973

IUPACprop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20N2O4/c1-5-10-20-13(18)16-11-6-8-12(9-7-11)17-14(19)21-15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyHXJCUHHJACCKGF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.77
Rot. Bonds4

About prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate

prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate (PubChem CID 102027973) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
PubChem CID102027973
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameprop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
SMILESC=CCOC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20N2O4/c1-5-10-20-13(18)16-11-6-8-12(9-7-11)17-14(19)21-15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,18)(H,17,19)
InChIKeyHXJCUHHJACCKGF-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
prop-2-enyl N-[4-[[1-methyl-4-[4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]phenyl]pyrrole-2-carbonyl]amino]phenyl]carbamate
CID 162489070
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 154928797
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate
CID 140873567
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
The IUPAC name of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate (CID 102027973) is prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate is C=CCOC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
The InChIKey is HXJCUHHJACCKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-10-20-13(18)16-11-6-8-12(9-7-11)17-14(19)21-15(2,3)4/h5-9H,1,10H2,2-4H3,(H,16,18)(H,17,19).
What are the key properties of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 102027973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).