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

C18H18N4O6 — CID 123764066

IUPAC[1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate
SMILESNC(=O)C(OC(=O)Nc1ccccc1)C(OC(=O)Nc1ccccc1)C(N)=O
InChIInChI=1S/C18H18N4O6/c19-15(23)13(27-17(25)21-11-7-3-1-4-8-11)14(16(20)24)28-18(26)22-12-9-5-2-6-10-12/h1-10,13-14H,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26)
InChIKeyGRAOEMILCXSVQU-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.19
Rot. Bonds7

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

[1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate (PubChem CID 123764066) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate
PubChem CID123764066
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name[1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate
SMILESNC(=O)C(OC(=O)Nc1ccccc1)C(OC(=O)Nc1ccccc1)C(N)=O
InChIInChI=1S/C18H18N4O6/c19-15(23)13(27-17(25)21-11-7-3-1-4-8-11)14(16(20)24)28-18(26)22-12-9-5-2-6-10-12/h1-10,13-14H,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26)
InChIKeyGRAOEMILCXSVQU-UHFFFAOYSA-N
XLogP1.19
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2,3-dihydroxy-N,N'-diphenylbutanediamide
CID 493962
Cyclohexyl lactate carbanilate
CID 252032
Butanediamide, 2,3-dihydroxy-N,N'-diphenyl-, (R,R)-(+)-
CID 230885
Ethane-1,2-diyl bis(phenylcarbamate)
CID 244545
2-(phenylcarbamoyloxy)propyl N-phenylcarbamate
CID 347199
Diethyl 2,3-bis(phenylcarbamoyloxy)butanedioate
CID 2818446
Acetic acid 2-acetoxy-1,2-bis-phenylcarbamoyl-ethyl ester
CID 564616
AC1Lfvzq
CID 784718
[1,4-diamino-3-[(3,5-dimethylphenyl)carbamoyloxy]-1,4-dioxobutan-2-yl] N-(3,5-dimethylphenyl)carbamate
CID 124036599
Dibutyl 2-(phenylcarbamoyloxy)butanedioate
CID 504574
2-(Acetyloxy)-1,2-bis[(3-methylphenyl)carbamoyl]ethyl acetate
CID 4243050
(2S,3S)-2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 11784036

Frequently Asked Questions

What is the IUPAC name of [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate?
The IUPAC name of [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate (CID 123764066) is [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate?
The canonical SMILES for [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate is NC(=O)C(OC(=O)Nc1ccccc1)C(OC(=O)Nc1ccccc1)C(N)=O.
What is the InChIKey of [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate?
The InChIKey is GRAOEMILCXSVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c19-15(23)13(27-17(25)21-11-7-3-1-4-8-11)14(16(20)24)28-18(26)22-12-9-5-2-6-10-12/h1-10,13-14H,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26).
What are the key properties of [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate?
[1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate has a molecular weight of 386.36 g/mol, XLogP of 1.19, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-diamino-1,4-dioxo-3-(phenylcarbamoyloxy)butan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 123764066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).