1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea

C18H23N2O3P — CID 125498774

IUPAC1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea
SMILESCCCCNC(=O)N[P@](=O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O3P/c1-2-3-14-19-18(21)20-24(22,17-12-8-5-9-13-17)23-15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H2,19,20,21,22)/t24-/m1/s1
InChIKeyAJIKXGINSSJDPO-XMMPIXPASA-N
MW346.37 g/mol
LogP3.82
Rot. Bonds8

About 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea

1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea (PubChem CID 125498774) has the molecular formula C18H23N2O3P and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea.

Molecular Properties

Compound Name1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea
PubChem CID125498774
Molecular FormulaC18H23N2O3P
Molecular Weight346.37 g/mol
Exact Mass346.14
IUPAC Name1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea
SMILESCCCCNC(=O)N[P@](=O)(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O3P/c1-2-3-14-19-18(21)20-24(22,17-12-8-5-9-13-17)23-15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H2,19,20,21,22)/t24-/m1/s1
InChIKeyAJIKXGINSSJDPO-XMMPIXPASA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[aminomethyl(phenylmethoxy)phosphoryl]butan-1-amine
CID 10563011
N-butyl-2-phenylmethoxyacetamide
CID 126717674
1-butyl-3-(phenoxymethyl)urea
CID 108888779
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 89155670
dodecyl-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 19090857
1-butyl-3-(furan-2-carbonylamino)urea
CID 4642065
(2R)-2-benzyl-N-butyl-3-methylpentanamide
CID 155243987
N-butyl-4-phenylbenzamide
CID 3637649
benzyl 2-[[2-(decylcarbamoylamino)acetyl]amino]acetate
CID 71063307
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea?
The IUPAC name of 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea (CID 125498774) is 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea.
What is the SMILES notation for 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea?
The canonical SMILES for 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea is CCCCNC(=O)N[P@](=O)(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea?
The InChIKey is AJIKXGINSSJDPO-XMMPIXPASA-N. The full InChI is InChI=1S/C18H23N2O3P/c1-2-3-14-19-18(21)20-24(22,17-12-8-5-9-13-17)23-15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H2,19,20,21,22)/t24-/m1/s1.
What are the key properties of 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea?
1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea has a molecular weight of 346.37 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[phenyl(phenylmethoxy)phosphoryl]urea is sourced from PubChem (CID 125498774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).