phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate

C14H20N2O3 — CID 67639492

IUPACphenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CCC(C(=O)Oc1ccccc1)N(C)C
InChIInChI=1S/C14H20N2O3/c1-15-13(17)10-9-12(16(2)3)14(18)19-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17)
InChIKeyHNQFYWWOROKBHN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.05
Rot. Bonds6

About phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate

phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate (PubChem CID 67639492) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Namephenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate
PubChem CID67639492
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namephenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CCC(C(=O)Oc1ccccc1)N(C)C
InChIInChI=1S/C14H20N2O3/c1-15-13(17)10-9-12(16(2)3)14(18)19-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17)
InChIKeyHNQFYWWOROKBHN-UHFFFAOYSA-N
XLogP1.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(hydroxyamino)propanoate
CID 88707618
N-methyl-4,4-diphenylbutanamide
CID 125470248
phenyl (2S)-2-methoxypropanoate
CID 12621314
phenyl 3-amino-2-hydroxybutanoate
CID 174562761
(dimethylamino)methyl phenyl carbonate
CID 59882405
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
phenyl (2S)-2-(dibenzylcarbamoylamino)propanoate
CID 54544235
[4-(methylamino)-4-oxo-1-phenylbutyl] acetate
CID 71678078
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl 2-hydroxypentanoate
CID 141237122
diphenyl 2-methylbutanedioate
CID 19419895

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate?
The IUPAC name of phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate (CID 67639492) is phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate.
What is the SMILES notation for phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate?
The canonical SMILES for phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate is CNC(=O)CCC(C(=O)Oc1ccccc1)N(C)C.
What is the InChIKey of phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate?
The InChIKey is HNQFYWWOROKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-13(17)10-9-12(16(2)3)14(18)19-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,17).
What are the key properties of phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate?
phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate has a molecular weight of 264.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(dimethylamino)-5-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 67639492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).