methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate

C18H23N2O2P — CID 135065001

IUPACmethyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H23N2O2P/c1-14(2)19-23(20-18(21)22-4,16-11-6-5-7-12-16)17-13-9-8-10-15(17)3/h5-14,19H,1-4H3
InChIKeyZGLBWRWXOLQYAW-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.83
Rot. Bonds4

About methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate

methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate (PubChem CID 135065001) has the molecular formula C18H23N2O2P and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
PubChem CID135065001
Molecular FormulaC18H23N2O2P
Molecular Weight330.37 g/mol
Exact Mass330.15
IUPAC Namemethyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H23N2O2P/c1-14(2)19-23(20-18(21)22-4,16-11-6-5-7-12-16)17-13-9-8-10-15(17)3/h5-14,19H,1-4H3
InChIKeyZGLBWRWXOLQYAW-UHFFFAOYSA-N
XLogP3.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate (CID 135065001) is methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate is COC(=O)N=P(NC(C)C)(c1ccccc1)c1ccccc1C.
What is the InChIKey of methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
The InChIKey is ZGLBWRWXOLQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O2P/c1-14(2)19-23(20-18(21)22-4,16-11-6-5-7-12-16)17-13-9-8-10-15(17)3/h5-14,19H,1-4H3.
What are the key properties of methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate?
methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate has a molecular weight of 330.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methylphenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate is sourced from PubChem (CID 135065001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).