bis(cyclohexanecarbonylamino) propyl phosphate

C17H31N2O6P — CID 21440695

IUPACbis(cyclohexanecarbonylamino) propyl phosphate
SMILESCCCOP(=O)(ONC(=O)C1CCCCC1)ONC(=O)C1CCCCC1
InChIInChI=1S/C17H31N2O6P/c1-2-13-23-26(22,24-18-16(20)14-9-5-3-6-10-14)25-19-17(21)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3,(H,18,20)(H,19,21)
InChIKeyIDGWUGUSEULCNC-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.78
Rot. Bonds9

About bis(cyclohexanecarbonylamino) propyl phosphate

bis(cyclohexanecarbonylamino) propyl phosphate (PubChem CID 21440695) has the molecular formula C17H31N2O6P and a molecular weight of 390.42 g/mol. Its IUPAC name is bis(cyclohexanecarbonylamino) propyl phosphate.

Molecular Properties

Compound Namebis(cyclohexanecarbonylamino) propyl phosphate
PubChem CID21440695
Molecular FormulaC17H31N2O6P
Molecular Weight390.42 g/mol
Exact Mass390.19
IUPAC Namebis(cyclohexanecarbonylamino) propyl phosphate
SMILESCCCOP(=O)(ONC(=O)C1CCCCC1)ONC(=O)C1CCCCC1
InChIInChI=1S/C17H31N2O6P/c1-2-13-23-26(22,24-18-16(20)14-9-5-3-6-10-14)25-19-17(21)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3,(H,18,20)(H,19,21)
InChIKeyIDGWUGUSEULCNC-UHFFFAOYSA-N
XLogP3.78
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(cyclohexanecarbonylamino) methyl phosphate
CID 21440720
bis(carbamoylamino) propyl phosphate
CID 88818411
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
N-propylcyclooctanecarboxamide
CID 65022755
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
N-methoxycyclopentanecarboxamide
CID 59130435
pentadecyl 3-(cyclohexanecarbonylamino)propanoate
CID 91741547
N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
CID 112550660
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
methyl 2-bromo-3-(cyclooctanecarbonylamino)propanoate
CID 103492357

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexanecarbonylamino) propyl phosphate?
The IUPAC name of bis(cyclohexanecarbonylamino) propyl phosphate (CID 21440695) is bis(cyclohexanecarbonylamino) propyl phosphate.
What is the SMILES notation for bis(cyclohexanecarbonylamino) propyl phosphate?
The canonical SMILES for bis(cyclohexanecarbonylamino) propyl phosphate is CCCOP(=O)(ONC(=O)C1CCCCC1)ONC(=O)C1CCCCC1.
What is the InChIKey of bis(cyclohexanecarbonylamino) propyl phosphate?
The InChIKey is IDGWUGUSEULCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2O6P/c1-2-13-23-26(22,24-18-16(20)14-9-5-3-6-10-14)25-19-17(21)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3,(H,18,20)(H,19,21).
What are the key properties of bis(cyclohexanecarbonylamino) propyl phosphate?
bis(cyclohexanecarbonylamino) propyl phosphate has a molecular weight of 390.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexanecarbonylamino) propyl phosphate is sourced from PubChem (CID 21440695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).