[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid

C19H24NO4P — CID 89462180

IUPAC[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid
SMILESCCCP(=O)(OCC)c1ccc(C(NC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H24NO4P/c1-3-14-25(23,24-4-2)17-12-10-16(11-13-17)18(20-19(21)22)15-8-6-5-7-9-15/h5-13,18,20H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyPWFRAHWCIYJRNS-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.39
Rot. Bonds8

About [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid

[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid (PubChem CID 89462180) has the molecular formula C19H24NO4P and a molecular weight of 361.38 g/mol. Its IUPAC name is [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid.

Molecular Properties

Compound Name[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid
PubChem CID89462180
Molecular FormulaC19H24NO4P
Molecular Weight361.38 g/mol
Exact Mass361.14
IUPAC Name[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid
SMILESCCCP(=O)(OCC)c1ccc(C(NC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H24NO4P/c1-3-14-25(23,24-4-2)17-12-10-16(11-13-17)18(20-19(21)22)15-8-6-5-7-9-15/h5-13,18,20H,3-4,14H2,1-2H3,(H,21,22)
InChIKeyPWFRAHWCIYJRNS-UHFFFAOYSA-N
XLogP4.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 5-(benzhydrylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7930994
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
ethyl 2-diethoxyphosphoryl-2-(phenylcarbamoylamino)acetate
CID 4210354

Frequently Asked Questions

What is the IUPAC name of [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid?
The IUPAC name of [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid (CID 89462180) is [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid.
What is the SMILES notation for [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid?
The canonical SMILES for [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid is CCCP(=O)(OCC)c1ccc(C(NC(=O)O)c2ccccc2)cc1.
What is the InChIKey of [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid?
The InChIKey is PWFRAHWCIYJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO4P/c1-3-14-25(23,24-4-2)17-12-10-16(11-13-17)18(20-19(21)22)15-8-6-5-7-9-15/h5-13,18,20H,3-4,14H2,1-2H3,(H,21,22).
What are the key properties of [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid?
[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid has a molecular weight of 361.38 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid is sourced from PubChem (CID 89462180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).