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

C20H25N2O2P — CID 135065504

IUPACmethyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate
SMILESC=CCc1ccccc1P(=NC(=O)OC)(NC(C)C)c1ccccc1
InChIInChI=1S/C20H25N2O2P/c1-5-11-17-12-9-10-15-19(17)25(21-16(2)3,22-20(23)24-4)18-13-7-6-8-14-18/h5-10,12-16,21H,1,11H2,2-4H3
InChIKeyYSAOPICMQHPAGN-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.25
Rot. Bonds6

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

methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate (PubChem CID 135065504) has the molecular formula C20H25N2O2P and a molecular weight of 356.41 g/mol. Its IUPAC name is methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate
PubChem CID135065504
Molecular FormulaC20H25N2O2P
Molecular Weight356.41 g/mol
Exact Mass356.17
IUPAC Namemethyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate
SMILESC=CCc1ccccc1P(=NC(=O)OC)(NC(C)C)c1ccccc1
InChIInChI=1S/C20H25N2O2P/c1-5-11-17-12-9-10-15-19(17)25(21-16(2)3,22-20(23)24-4)18-13-7-6-8-14-18/h5-10,12-16,21H,1,11H2,2-4H3
InChIKeyYSAOPICMQHPAGN-UHFFFAOYSA-N
XLogP4.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2-iodophenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
CID 135065000
methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate
CID 101093599
2-(2-prop-2-enylanilino)propanoic acid
CID 12657922
methyl 4-oxo-4-(2-prop-2-enylphenyl)butanoate
CID 10331498
2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
CID 167917208
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
2-prop-2-enylbenzoic acid
CID 2752991
lithium 2-[methoxycarbonylimino(diphenyl)-λ5-phosphanyl]-1,2-diphenylethanolate
CID 101070218
methyl 2-(2-prop-2-enylphenoxy)butanoate
CID 59918636
2-methyl-3-(2-prop-2-enylphenyl)prop-2-enoic acid
CID 67283763
methyl 2-bromo-3-(2-prop-2-enylphenoxy)propanoate
CID 81092362
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141

Frequently Asked Questions

What is the IUPAC name of methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate (CID 135065504) is methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate is C=CCc1ccccc1P(=NC(=O)OC)(NC(C)C)c1ccccc1.
What is the InChIKey of methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate?
The InChIKey is YSAOPICMQHPAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O2P/c1-5-11-17-12-9-10-15-19(17)25(21-16(2)3,22-20(23)24-4)18-13-7-6-8-14-18/h5-10,12-16,21H,1,11H2,2-4H3.
What are the key properties of methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate?
methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate has a molecular weight of 356.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate is sourced from PubChem (CID 135065504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).