5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium

C24H32N4O8P2U2 — CID 59679782

IUPAC5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium
SMILESCC(=O)OC(=O)NCCCCCNC(=O)N(C(=O)O)c1ccc(Cc2ccc(NC(=O)OP)cc2)cc1.P.[U].[U]
InChIInChI=1S/C24H29N4O8P.H3P.2U/c1-16(29)35-22(31)26-14-4-2-3-13-25-21(30)28(24(33)34)20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)27-23(32)36-37;;;/h5-12H,2-4,13-15,37H2,1H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34);1H3;;
InChIKeyCDKXFYDYCRJIKN-UHFFFAOYSA-N
MW1042.55 g/mol
LogP4.31
Rot. Bonds10

About 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium

5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium (PubChem CID 59679782) has the molecular formula C24H32N4O8P2U2 and a molecular weight of 1042.55 g/mol. Its IUPAC name is 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium.

Molecular Properties

Compound Name5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium
PubChem CID59679782
Molecular FormulaC24H32N4O8P2U2
Molecular Weight1042.55 g/mol
Exact Mass1042.27
IUPAC Name5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium
SMILESCC(=O)OC(=O)NCCCCCNC(=O)N(C(=O)O)c1ccc(Cc2ccc(NC(=O)OP)cc2)cc1.P.[U].[U]
InChIInChI=1S/C24H29N4O8P.H3P.2U/c1-16(29)35-22(31)26-14-4-2-3-13-25-21(30)28(24(33)34)20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)27-23(32)36-37;;;/h5-12H,2-4,13-15,37H2,1H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34);1H3;;
InChIKeyCDKXFYDYCRJIKN-UHFFFAOYSA-N
XLogP4.31
TPSA163.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001042.55
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phosphane;[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;uranium
CID 59679788
[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
CID 59679789
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196
N-octyl-N'-[4-[[4-(2-oxopropanoylamino)phenyl]methyl]phenyl]oxamide
CID 135298855
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
1-[4-[hexyl(methyl)amino]butyl]-3-[4-[[4-[4-[hexyl(methyl)amino]butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955906
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
N-(6-acetamidohexyl)acetamide;N-[4-[(4-acetamidophenyl)methyl]phenyl]acetamide;1,3-bis(methoxymethyl)benzene;1,2-dimethoxyethane
CID 158233860
(2S)-6-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoylamino]-2-aminohexanoic acid
CID 90733818
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
1-[3-[heptyl(octyl)amino]propyl]-3-[4-[[4-[3-[heptyl(octyl)amino]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954770
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813

Frequently Asked Questions

What is the IUPAC name of 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium?
The IUPAC name of 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium (CID 59679782) is 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium.
What is the SMILES notation for 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium?
The canonical SMILES for 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium is CC(=O)OC(=O)NCCCCCNC(=O)N(C(=O)O)c1ccc(Cc2ccc(NC(=O)OP)cc2)cc1.P.[U].[U].
What is the InChIKey of 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium?
The InChIKey is CDKXFYDYCRJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N4O8P.H3P.2U/c1-16(29)35-22(31)26-14-4-2-3-13-25-21(30)28(24(33)34)20-11-7-18(8-12-20)15-17-5-9-19(10-6-17)27-23(32)36-37;;;/h5-12H,2-4,13-15,37H2,1H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34);1H3;;.
What are the key properties of 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium?
5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium has a molecular weight of 1042.55 g/mol, XLogP of 4.31, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetyloxycarbonylamino)pentylcarbamoyl-[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid;phosphane;uranium is sourced from PubChem (CID 59679782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).