[1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate

C21H34N2O3 — CID 143615994

IUPAC[1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate
SMILESCCCOc1cc(N)ccc1C(=O)OCC1(N(CC)CC)C(C)C1CC
InChIInChI=1S/C21H34N2O3/c1-6-12-25-19-13-16(22)10-11-17(19)20(24)26-14-21(23(8-3)9-4)15(5)18(21)7-2/h10-11,13,15,18H,6-9,12,14,22H2,1-5H3
InChIKeyJHAJAPOUZYPWNK-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.97
Rot. Bonds10

About [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate

[1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate (PubChem CID 143615994) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate.

Molecular Properties

Compound Name[1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate
PubChem CID143615994
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name[1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate
SMILESCCCOc1cc(N)ccc1C(=O)OCC1(N(CC)CC)C(C)C1CC
InChIInChI=1S/C21H34N2O3/c1-6-12-25-19-13-16(22)10-11-17(19)20(24)26-14-21(23(8-3)9-4)15(5)18(21)7-2/h10-11,13,15,18H,6-9,12,14,22H2,1-5H3
InChIKeyJHAJAPOUZYPWNK-UHFFFAOYSA-N
XLogP3.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(dimethylamino)-3-methylbutyl] 4-amino-2-propoxybenzoate
CID 59226348
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
[(2S)-2-(dimethylamino)propyl] 4-amino-2-butoxybenzoate
CID 24996028
(4-nitrophenyl) 4-amino-2-propoxybenzoate
CID 178094574
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
[(2S)-3-methyl-2-piperidin-1-ylbutyl] 4-amino-2-propoxybenzoate
CID 59226349
ethyl 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoate;phosphoric acid
CID 134109853
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362
4-amino-2-nonoxybenzoic acid
CID 106954713
propyl 4-(cyanomethyl)-2-propoxybenzoate
CID 21261905
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
methyl 4-amino-2-[2-(diethylamino)-2-oxoethoxy]benzoate
CID 106954939

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate?
The IUPAC name of [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate (CID 143615994) is [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate.
What is the SMILES notation for [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate?
The canonical SMILES for [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate is CCCOc1cc(N)ccc1C(=O)OCC1(N(CC)CC)C(C)C1CC.
What is the InChIKey of [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate?
The InChIKey is JHAJAPOUZYPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-6-12-25-19-13-16(22)10-11-17(19)20(24)26-14-21(23(8-3)9-4)15(5)18(21)7-2/h10-11,13,15,18H,6-9,12,14,22H2,1-5H3.
What are the key properties of [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate?
[1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate has a molecular weight of 362.51 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-2-ethyl-3-methylcyclopropyl]methyl 4-amino-2-propoxybenzoate is sourced from PubChem (CID 143615994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).