bis(cyclohexanecarbonylamino) methyl phosphate

C15H27N2O6P — CID 21440720

IUPACbis(cyclohexanecarbonylamino) methyl phosphate
SMILESCOP(=O)(ONC(=O)C1CCCCC1)ONC(=O)C1CCCCC1
InChIInChI=1S/C15H27N2O6P/c1-21-24(20,22-16-14(18)12-8-4-2-5-9-12)23-17-15(19)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyPYKWPESPGNYKHP-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.00
Rot. Bonds7

About bis(cyclohexanecarbonylamino) methyl phosphate

bis(cyclohexanecarbonylamino) methyl phosphate (PubChem CID 21440720) has the molecular formula C15H27N2O6P and a molecular weight of 362.36 g/mol. Its IUPAC name is bis(cyclohexanecarbonylamino) methyl phosphate.

Molecular Properties

Compound Namebis(cyclohexanecarbonylamino) methyl phosphate
PubChem CID21440720
Molecular FormulaC15H27N2O6P
Molecular Weight362.36 g/mol
Exact Mass362.16
IUPAC Namebis(cyclohexanecarbonylamino) methyl phosphate
SMILESCOP(=O)(ONC(=O)C1CCCCC1)ONC(=O)C1CCCCC1
InChIInChI=1S/C15H27N2O6P/c1-21-24(20,22-16-14(18)12-8-4-2-5-9-12)23-17-15(19)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyPYKWPESPGNYKHP-UHFFFAOYSA-N
XLogP3.00
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.00
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) propyl phosphate
CID 21440695
N-methoxycyclopentanecarboxamide
CID 59130435
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate
CID 87714342
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560
methyl 2-bromo-3-(cyclooctanecarbonylamino)propanoate
CID 103492357
ethane;methyl cyclohexanecarboxylate
CID 90871014
N-propylcyclooctanecarboxamide
CID 65022755
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
N-hydroxycyclohexanecarboxamide;hydrochloride
CID 174569477
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexanecarbonylamino) methyl phosphate?
The IUPAC name of bis(cyclohexanecarbonylamino) methyl phosphate (CID 21440720) is bis(cyclohexanecarbonylamino) methyl phosphate.
What is the SMILES notation for bis(cyclohexanecarbonylamino) methyl phosphate?
The canonical SMILES for bis(cyclohexanecarbonylamino) methyl phosphate is COP(=O)(ONC(=O)C1CCCCC1)ONC(=O)C1CCCCC1.
What is the InChIKey of bis(cyclohexanecarbonylamino) methyl phosphate?
The InChIKey is PYKWPESPGNYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O6P/c1-21-24(20,22-16-14(18)12-8-4-2-5-9-12)23-17-15(19)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of bis(cyclohexanecarbonylamino) methyl phosphate?
bis(cyclohexanecarbonylamino) methyl phosphate has a molecular weight of 362.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexanecarbonylamino) methyl phosphate is sourced from PubChem (CID 21440720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).