(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine

C19H32N3O3P — CID 134934648

IUPAC(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine
SMILESCN(C)P(=O)(N/C=C\C(CC1COC(C)(C)O1)c1ccccc1)N(C)C
InChIInChI=1S/C19H32N3O3P/c1-19(2)24-15-18(25-19)14-17(16-10-8-7-9-11-16)12-13-20-26(23,21(3)4)22(5)6/h7-13,17-18H,14-15H2,1-6H3,(H,20,23)/b13-12-
InChIKeyHULWJMMZRCCDJW-SEYXRHQNSA-N
MW381.46 g/mol
LogP3.65
Rot. Bonds8

About (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine

(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine (PubChem CID 134934648) has the molecular formula C19H32N3O3P and a molecular weight of 381.46 g/mol. Its IUPAC name is (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine
PubChem CID134934648
Molecular FormulaC19H32N3O3P
Molecular Weight381.46 g/mol
Exact Mass381.22
IUPAC Name(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine
SMILESCN(C)P(=O)(N/C=C\C(CC1COC(C)(C)O1)c1ccccc1)N(C)C
InChIInChI=1S/C19H32N3O3P/c1-19(2)24-15-18(25-19)14-17(16-10-8-7-9-11-16)12-13-20-26(23,21(3)4)22(5)6/h7-13,17-18H,14-15H2,1-6H3,(H,20,23)/b13-12-
InChIKeyHULWJMMZRCCDJW-SEYXRHQNSA-N
XLogP3.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine?
The IUPAC name of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine (CID 134934648) is (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine is CN(C)P(=O)(N/C=C\C(CC1COC(C)(C)O1)c1ccccc1)N(C)C.
What is the InChIKey of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine?
The InChIKey is HULWJMMZRCCDJW-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H32N3O3P/c1-19(2)24-15-18(25-19)14-17(16-10-8-7-9-11-16)12-13-20-26(23,21(3)4)22(5)6/h7-13,17-18H,14-15H2,1-6H3,(H,20,23)/b13-12-.
What are the key properties of (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine?
(Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine has a molecular weight of 381.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[bis(dimethylamino)phosphoryl]-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-phenylbut-1-en-1-amine is sourced from PubChem (CID 134934648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).