[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate

C14H20N2O3 — CID 61316212

IUPAC[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
SMILESCN(C)C(=O)CCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)13(17)9-10-19-14(18)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8-10,15H2,1-2H3
InChIKeyGRHQQEGHESUWSH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.22
Rot. Bonds6

About [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate

[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate (PubChem CID 61316212) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
PubChem CID61316212
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
SMILESCN(C)C(=O)CCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-16(2)13(17)9-10-19-14(18)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8-10,15H2,1-2H3
InChIKeyGRHQQEGHESUWSH-UHFFFAOYSA-N
XLogP1.22
TPSA72.63 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
CID 103403075
3-ethylsulfonylpropyl 3-(4-aminophenyl)propanoate
CID 65095377
butyl 4-(4-aminophenyl)butanoate
CID 89374601
2-ethoxyethyl 3-(4-ethylphenyl)propanoate
CID 78832078
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
2-[3-(4-aminophenyl)propanoyloxy]butanoic acid
CID 64663009

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate (CID 61316212) is [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate is CN(C)C(=O)CCOC(=O)CCc1ccc(N)cc1.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate?
The InChIKey is GRHQQEGHESUWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)13(17)9-10-19-14(18)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8-10,15H2,1-2H3.
What are the key properties of [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate?
[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 61316212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).