[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate

C17H24N2O4 — CID 46884722

IUPAC[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate
SMILESC=C[C@H](OC(=O)NCCC)c1ccc(OC(=O)NCCC)cc1
InChIInChI=1S/C17H24N2O4/c1-4-11-18-16(20)22-14-9-7-13(8-10-14)15(6-3)23-17(21)19-12-5-2/h6-10,15H,3-5,11-12H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyMXHKCVWRAHNJFK-HNNXBMFYSA-N
MW320.39 g/mol
LogP3.55
Rot. Bonds8

About [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate

[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate (PubChem CID 46884722) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate
PubChem CID46884722
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate
SMILESC=C[C@H](OC(=O)NCCC)c1ccc(OC(=O)NCCC)cc1
InChIInChI=1S/C17H24N2O4/c1-4-11-18-16(20)22-14-9-7-13(8-10-14)15(6-3)23-17(21)19-12-5-2/h6-10,15H,3-5,11-12H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyMXHKCVWRAHNJFK-HNNXBMFYSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.55
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

1-(4-methylphenyl)prop-2-enyl N-propylcarbamate
CID 102142653
[(1R)-1-(2-methylphenyl)prop-2-enyl] N-butylcarbamate
CID 141398944
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
[(1S)-1-(4-acetyloxyphenyl)prop-2-enyl] 3-phenylpropanoate
CID 101450263
(4-aminophenyl) N-butylcarbamate
CID 126552960
[4-(propylcarbamoyloxy)phenyl]methyl 2,2-dimethylpropanoate
CID 58962186
[4-(1-adamantyl)phenyl] N-propylcarbamate
CID 5154049
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
CID 95462842

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate?
The IUPAC name of [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate (CID 46884722) is [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate.
What is the SMILES notation for [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate?
The canonical SMILES for [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate is C=C[C@H](OC(=O)NCCC)c1ccc(OC(=O)NCCC)cc1.
What is the InChIKey of [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate?
The InChIKey is MXHKCVWRAHNJFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-11-18-16(20)22-14-9-7-13(8-10-14)15(6-3)23-17(21)19-12-5-2/h6-10,15H,3-5,11-12H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate?
[4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate has a molecular weight of 320.39 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(propylcarbamoyloxy)prop-2-enyl]phenyl] N-propylcarbamate is sourced from PubChem (CID 46884722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).