1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate

C19H30N2O4 — CID 158999553

IUPAC1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate
SMILESCCCNCCCCCNC(=O)OC(C)OC(=O)Cc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-3-12-20-13-8-5-9-14-21-19(23)25-16(2)24-18(22)15-17-10-6-4-7-11-17/h4,6-7,10-11,16,20H,3,5,8-9,12-15H2,1-2H3,(H,21,23)
InChIKeyZIICZNBBWOBMBO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.01
Rot. Bonds12

About 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate

1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate (PubChem CID 158999553) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate.

Molecular Properties

Compound Name1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate
PubChem CID158999553
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate
SMILESCCCNCCCCCNC(=O)OC(C)OC(=O)Cc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-3-12-20-13-8-5-9-14-21-19(23)25-16(2)24-18(22)15-17-10-6-4-7-11-17/h4,6-7,10-11,16,20H,3,5,8-9,12-15H2,1-2H3,(H,21,23)
InChIKeyZIICZNBBWOBMBO-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R)-1-(4-oxo-4-phenylmethoxybutanoyl)oxyethoxy]carbonylamino]propane-1-sulfonic acid
CID 166654501
5-phenyl-N-propylpentan-1-amine
CID 62530615
1-(propylamino)propan-2-yl 2-(4-chlorophenyl)acetate
CID 82532660
3-(3-methylbutylamino)propyl 2-phenylacetate
CID 82531995
1-bromopropan-2-yl 2-phenylacetate
CID 102297805
(2S)-2-(2-phenylacetyl)oxybutanoic acid
CID 124585457
1-bromoethyl 2-phenylacetate
CID 22386448
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
1-phenylpropyl 2-phenylacetate
CID 59360641
[methoxy(phenyl)methyl] N-[6-[[methoxy(phenyl)methoxy]carbonylamino]hexyl]carbamate
CID 141260838
ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
CID 134972816

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate?
The IUPAC name of 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate (CID 158999553) is 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate.
What is the SMILES notation for 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate?
The canonical SMILES for 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate is CCCNCCCCCNC(=O)OC(C)OC(=O)Cc1ccccc1.
What is the InChIKey of 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate?
The InChIKey is ZIICZNBBWOBMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-3-12-20-13-8-5-9-14-21-19(23)25-16(2)24-18(22)15-17-10-6-4-7-11-17/h4,6-7,10-11,16,20H,3,5,8-9,12-15H2,1-2H3,(H,21,23).
What are the key properties of 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate?
1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate has a molecular weight of 350.46 g/mol, XLogP of 3.01, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propylamino)pentylcarbamoyloxy]ethyl 2-phenylacetate is sourced from PubChem (CID 158999553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).