N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid

C16H26NO2P — CID 175008628

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid
SMILESCC1CCC(C(C)C)C(NP(=O)(O)c2ccccc2)C1
InChIInChI=1S/C16H26NO2P/c1-12(2)15-10-9-13(3)11-16(15)17-20(18,19)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyJDBUNFGHFNPMFQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.55
Rot. Bonds4

About N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid

N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid (PubChem CID 175008628) has the molecular formula C16H26NO2P and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid
PubChem CID175008628
Molecular FormulaC16H26NO2P
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid
SMILESCC1CCC(C(C)C)C(NP(=O)(O)c2ccccc2)C1
InChIInChI=1S/C16H26NO2P/c1-12(2)15-10-9-13(3)11-16(15)17-20(18,19)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H2,17,18,19)
InChIKeyJDBUNFGHFNPMFQ-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylthiourea
CID 6585213
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid (CID 175008628) is N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid is CC1CCC(C(C)C)C(NP(=O)(O)c2ccccc2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid?
The InChIKey is JDBUNFGHFNPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO2P/c1-12(2)15-10-9-13(3)11-16(15)17-20(18,19)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H2,17,18,19).
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid?
N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid has a molecular weight of 295.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)-phenylphosphonamidic acid is sourced from PubChem (CID 175008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).