7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium

C43H74I2N4O8U — CID 157283886

IUPAC7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium
SMILESC.C.CC(CO)(CCCCCN)c1ccccc1.COC(=O)CCC/N=C/C=O.COC(=O)CCCNC(=O)NCCCCCC(C)(CO)c1ccccc1.II.[U]
InChIInChI=1S/C20H32N2O4.C14H23NO.C7H11NO3.2CH4.I2.U/c1-20(16-23,17-10-5-3-6-11-17)13-7-4-8-14-21-19(25)22-15-9-12-18(24)26-2;1-14(12-16,10-6-3-7-11-15)13-8-4-2-5-9-13;1-11-7(10)3-2-4-8-5-6-9;;;1-2;/h3,5-6,10-11,23H,4,7-9,12-16H2,1-2H3,(H2,21,22,25);2,4-5,8-9,16H,3,6-7,10-12,15H2,1H3;5-6H,2-4H2,1H3;2*1H4;;/b;;8-5+;;;;
InChIKeyAZZOONVPLVOGIC-DMUBCZFTSA-N
MW1266.92 g/mol
LogP8.46
Rot. Bonds24

About 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium

7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium (PubChem CID 157283886) has the molecular formula C43H74I2N4O8U and a molecular weight of 1266.92 g/mol. Its IUPAC name is 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium.

Molecular Properties

Compound Name7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium
PubChem CID157283886
Molecular FormulaC43H74I2N4O8U
Molecular Weight1266.92 g/mol
Exact Mass1266.41
IUPAC Name7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium
SMILESC.C.CC(CO)(CCCCCN)c1ccccc1.COC(=O)CCC/N=C/C=O.COC(=O)CCCNC(=O)NCCCCCC(C)(CO)c1ccccc1.II.[U]
InChIInChI=1S/C20H32N2O4.C14H23NO.C7H11NO3.2CH4.I2.U/c1-20(16-23,17-10-5-3-6-11-17)13-7-4-8-14-21-19(25)22-15-9-12-18(24)26-2;1-14(12-16,10-6-3-7-11-15)13-8-4-2-5-9-13;1-11-7(10)3-2-4-8-5-6-9;;;1-2;/h3,5-6,10-11,23H,4,7-9,12-16H2,1-2H3,(H2,21,22,25);2,4-5,8-9,16H,3,6-7,10-12,15H2,1H3;5-6H,2-4H2,1H3;2*1H4;;/b;;8-5+;;;;
InChIKeyAZZOONVPLVOGIC-DMUBCZFTSA-N
XLogP8.46
TPSA189.64 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.92
LogP ≤ 58.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium with MolForge

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Related Compounds

CID 159956073
CID 159956073
1,3-bis(5-hydroxy-4-methyl-4-phenylpentyl)thiourea
CID 11350862
methyl 4-benzamidobutanoate
CID 13197711
15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane
CID 161045446
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384
(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol
CID 129363498
tert-butyl 6-amino-5-methyl-5-phenylhexanoate
CID 153407915
methyl 6-(benzylideneamino)hexanoate
CID 11020797
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
methyl 10-aminodecanoate
CID 10655700
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium?
The IUPAC name of 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium (CID 157283886) is 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium.
What is the SMILES notation for 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium?
The canonical SMILES for 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium is C.C.CC(CO)(CCCCCN)c1ccccc1.COC(=O)CCC/N=C/C=O.COC(=O)CCCNC(=O)NCCCCCC(C)(CO)c1ccccc1.II.[U].
What is the InChIKey of 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium?
The InChIKey is AZZOONVPLVOGIC-DMUBCZFTSA-N. The full InChI is InChI=1S/C20H32N2O4.C14H23NO.C7H11NO3.2CH4.I2.U/c1-20(16-23,17-10-5-3-6-11-17)13-7-4-8-14-21-19(25)22-15-9-12-18(24)26-2;1-14(12-16,10-6-3-7-11-15)13-8-4-2-5-9-13;1-11-7(10)3-2-4-8-5-6-9;;;1-2;/h3,5-6,10-11,23H,4,7-9,12-16H2,1-2H3,(H2,21,22,25);2,4-5,8-9,16H,3,6-7,10-12,15H2,1H3;5-6H,2-4H2,1H3;2*1H4;;/b;;8-5+;;;;.
What are the key properties of 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium?
7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium has a molecular weight of 1266.92 g/mol, XLogP of 8.46, 24 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-2-phenylheptan-1-ol;methane;methyl 4-[(7-hydroxy-6-methyl-6-phenylheptyl)carbamoylamino]butanoate;methyl 4-(2-oxoethylideneamino)butanoate;molecular iodine;uranium is sourced from PubChem (CID 157283886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).