[2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate

C19H32NO4P — CID 10317013

IUPAC[2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate
SMILESC=CCN(C)C(C)C(OP(=O)(OC(C)C)OC(C)C)c1ccccc1
InChIInChI=1S/C19H32NO4P/c1-8-14-20(7)17(6)19(18-12-10-9-11-13-18)24-25(21,22-15(2)3)23-16(4)5/h8-13,15-17,19H,1,14H2,2-7H3
InChIKeyFMEMWWHCCSYIDV-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.21
Rot. Bonds11

About [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate

[2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate (PubChem CID 10317013) has the molecular formula C19H32NO4P and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate.

Molecular Properties

Compound Name[2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate
PubChem CID10317013
Molecular FormulaC19H32NO4P
Molecular Weight369.44 g/mol
Exact Mass369.21
IUPAC Name[2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate
SMILESC=CCN(C)C(C)C(OP(=O)(OC(C)C)OC(C)C)c1ccccc1
InChIInChI=1S/C19H32NO4P/c1-8-14-20(7)17(6)19(18-12-10-9-11-13-18)24-25(21,22-15(2)3)23-16(4)5/h8-13,15-17,19H,1,14H2,2-7H3
InChIKeyFMEMWWHCCSYIDV-UHFFFAOYSA-N
XLogP5.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris[2-(methylamino)-1-phenylpropyl] phosphate
CID 21115025
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
(1S,2S)-1-methoxy-N-(2-methoxyethyl)-N-methyl-1-phenylpropan-2-amine
CID 11447743
3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal
CID 74082329
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
CID 54579274
(2-methyl-1-phenylpent-4-enyl) acetate
CID 171782588
(2S)-N,2-dimethyl-N-[(1S)-1-phenylethyl]pent-4-en-1-amine
CID 102122071
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate?
The IUPAC name of [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate (CID 10317013) is [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate.
What is the SMILES notation for [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate?
The canonical SMILES for [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate is C=CCN(C)C(C)C(OP(=O)(OC(C)C)OC(C)C)c1ccccc1.
What is the InChIKey of [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate?
The InChIKey is FMEMWWHCCSYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO4P/c1-8-14-20(7)17(6)19(18-12-10-9-11-13-18)24-25(21,22-15(2)3)23-16(4)5/h8-13,15-17,19H,1,14H2,2-7H3.
What are the key properties of [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate?
[2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate has a molecular weight of 369.44 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(prop-2-enyl)amino]-1-phenylpropyl] dipropan-2-yl phosphate is sourced from PubChem (CID 10317013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).