1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine

C20H32NO3P — CID 10893868

IUPAC1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine
SMILESC=C=C(c1ccccc1)C(N(CC)CC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C20H32NO3P/c1-8-19(18-14-12-11-13-15-18)20(21(9-2)10-3)25(22,23-16(4)5)24-17(6)7/h11-17,20H,1,9-10H2,2-7H3
InChIKeyZEWZHHHHTWAVCI-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.57
Rot. Bonds10

About 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine

1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine (PubChem CID 10893868) has the molecular formula C20H32NO3P and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine
PubChem CID10893868
Molecular FormulaC20H32NO3P
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine
SMILESC=C=C(c1ccccc1)C(N(CC)CC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C20H32NO3P/c1-8-19(18-14-12-11-13-15-18)20(21(9-2)10-3)25(22,23-16(4)5)24-17(6)7/h11-17,20H,1,9-10H2,2-7H3
InChIKeyZEWZHHHHTWAVCI-UHFFFAOYSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-(3-phenylpenta-3,4-dien-2-yl)propanedioate
CID 12814273
4-methoxyhexa-1,2-dien-3-ylbenzene
CID 174694094
1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
CID 134929442
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172
[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
CID 102258998
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
(2R,3S)-3-diethoxyphosphoryl-3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 11771778
[4-[1-(diethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 169225827

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine (CID 10893868) is 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine is C=C=C(c1ccccc1)C(N(CC)CC)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine?
The InChIKey is ZEWZHHHHTWAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NO3P/c1-8-19(18-14-12-11-13-15-18)20(21(9-2)10-3)25(22,23-16(4)5)24-17(6)7/h11-17,20H,1,9-10H2,2-7H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine?
1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine has a molecular weight of 365.45 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine is sourced from PubChem (CID 10893868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).