1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide

C26H37N2O2P — CID 177433281

IUPAC1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide
SMILESCCCCCCNC(=O)N(CCCCCC)C(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37N2O2P/c1-3-5-7-15-21-27-25(29)28(22-16-8-6-4-2)26(30)31(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3,(H,27,29)
InChIKeyLTAYPHLZGQHPOL-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.41
Rot. Bonds13

About 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide

1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide (PubChem CID 177433281) has the molecular formula C26H37N2O2P and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide.

Molecular Properties

Compound Name1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide
PubChem CID177433281
Molecular FormulaC26H37N2O2P
Molecular Weight440.57 g/mol
Exact Mass440.26
IUPAC Name1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide
SMILESCCCCCCNC(=O)N(CCCCCC)C(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37N2O2P/c1-3-5-7-15-21-27-25(29)28(22-16-8-6-4-2)26(30)31(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3,(H,27,29)
InChIKeyLTAYPHLZGQHPOL-UHFFFAOYSA-N
XLogP6.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Octylcarbamoyl)-P,P-diphenylphosphinic amide
CID 71405519
N-{[3-(Diethylamino)propyl]carbamoyl}-P,P-diphenylphosphinic amide
CID 71446298
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
N-(diphenylphosphoryl)-N'-n-propylurea
CID 155919950
N-[1-(Diphenylphosphoryl)butyl]urea
CID 21423533
2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 70134867
Benzene;1,3-diethylurea;ethane
CID 91153221
Benzene;bis(1,3-diethylurea);ethane
CID 157658998
Benzene;bis(1,3-diethylurea);ethane;vanadium
CID 157962896
Benzene;ethane;1-heptyl-1,3-diazetidin-2-one;1-heptyl-3-methylurea
CID 157967013
Benzene;bis(1-butyl-1,3-diazetidin-2-one);propane
CID 158126869
Benzene;1-methyl-3-pentylurea;1-pentyl-1,3-diazetidin-2-one;propane
CID 158743019

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide?
The IUPAC name of 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide (CID 177433281) is 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide.
What is the SMILES notation for 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide?
The canonical SMILES for 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide is CCCCCCNC(=O)N(CCCCCC)C(=O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide?
The InChIKey is LTAYPHLZGQHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N2O2P/c1-3-5-7-15-21-27-25(29)28(22-16-8-6-4-2)26(30)31(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3,(H,27,29).
What are the key properties of 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide?
1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide has a molecular weight of 440.57 g/mol, XLogP of 6.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide is sourced from PubChem (CID 177433281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).