cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate

C17H26N2O3 — CID 93204053

IUPACcyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate
SMILESCN(C)CCCOc1cc(C(=O)OC2CCCC2)ccc1N
InChIInChI=1S/C17H26N2O3/c1-19(2)10-5-11-21-16-12-13(8-9-15(16)18)17(20)22-14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3
InChIKeyUGRQJVFGUOOPQM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.70
Rot. Bonds7

About cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate

cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate (PubChem CID 93204053) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate.

Molecular Properties

Compound Namecyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate
PubChem CID93204053
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namecyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate
SMILESCN(C)CCCOc1cc(C(=O)OC2CCCC2)ccc1N
InChIInChI=1S/C17H26N2O3/c1-19(2)10-5-11-21-16-12-13(8-9-15(16)18)17(20)22-14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3
InChIKeyUGRQJVFGUOOPQM-UHFFFAOYSA-N
XLogP2.70
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-amino-3-[2-(dimethylamino)ethoxy]benzoate
CID 93204052
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
cyclohexyl 4-amino-3-(2-methylpropoxy)benzoate
CID 82057544
cyclopentyl 3-amino-4-methylbenzoate
CID 61278814
cyclobutyl 3-amino-4-(dimethylamino)benzoate
CID 62383283
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cycloheptyl 4-amino-3-nitrosobenzoate
CID 142061654
4-cyclopentyl-2-[2-(dimethylamino)ethoxy]aniline
CID 170761212
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate?
The IUPAC name of cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate (CID 93204053) is cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate.
What is the SMILES notation for cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate?
The canonical SMILES for cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate is CN(C)CCCOc1cc(C(=O)OC2CCCC2)ccc1N.
What is the InChIKey of cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate?
The InChIKey is UGRQJVFGUOOPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(2)10-5-11-21-16-12-13(8-9-15(16)18)17(20)22-14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3.
What are the key properties of cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate?
cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate has a molecular weight of 306.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate is sourced from PubChem (CID 93204053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).