[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate

C24H26N4O6 — CID 18330839

IUPAC[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate
SMILESC=CCNC(=O)C(OC(=O)Nc1ccccc1)C(OC(=O)Nc1ccccc1)C(=O)NCC=C
InChIInChI=1S/C24H26N4O6/c1-3-15-25-21(29)19(33-23(31)27-17-11-7-5-8-12-17)20(22(30)26-16-4-2)34-24(32)28-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyWKSVSWJZXQEMQU-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.83
Rot. Bonds11

About [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate

[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate (PubChem CID 18330839) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate
PubChem CID18330839
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate
SMILESC=CCNC(=O)C(OC(=O)Nc1ccccc1)C(OC(=O)Nc1ccccc1)C(=O)NCC=C
InChIInChI=1S/C24H26N4O6/c1-3-15-25-21(29)19(33-23(31)27-17-11-7-5-8-12-17)20(22(30)26-16-4-2)34-24(32)28-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyWKSVSWJZXQEMQU-UHFFFAOYSA-N
XLogP2.83
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate with MolForge

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Related Compounds

[3-benzoyloxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] benzoate
CID 18330840
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
(2R,3R)-2,3-bis(phenylmethoxy)-N,N'-bis(prop-2-enyl)butanediamide
CID 70218763
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
CID 90979359
3,3-dimethoxy-2-phenylsulfanyl-N-prop-2-enylpropanamide
CID 53350098
[(2R,3R)-3-(4-tert-butylbenzoyl)oxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] 4-tert-butylbenzoate
CID 58957957
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-phenoxy-3-prop-2-enylurea
CID 119090624
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate
CID 10616670
benzyl N-[1-amino-1,3-dioxo-3-(prop-2-enylamino)propan-2-yl]carbamate
CID 70609159

Frequently Asked Questions

What is the IUPAC name of [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate?
The IUPAC name of [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate (CID 18330839) is [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate?
The canonical SMILES for [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate is C=CCNC(=O)C(OC(=O)Nc1ccccc1)C(OC(=O)Nc1ccccc1)C(=O)NCC=C.
What is the InChIKey of [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate?
The InChIKey is WKSVSWJZXQEMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-3-15-25-21(29)19(33-23(31)27-17-11-7-5-8-12-17)20(22(30)26-16-4-2)34-24(32)28-18-13-9-6-10-14-18/h3-14,19-20H,1-2,15-16H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate?
[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate has a molecular weight of 466.49 g/mol, XLogP of 2.83, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 18330839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).