(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

C15H22N2O4 — CID 103530161

IUPAC(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCCOc1cc(N)cc(C(=O)N2CC(OC)C(OC)C2)c1
InChIInChI=1S/C15H22N2O4/c1-4-21-12-6-10(5-11(16)7-12)15(18)17-8-13(19-2)14(9-17)20-3/h5-7,13-14H,4,8-9,16H2,1-3H3
InChIKeyDKYDNWFUXFHEOC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.15
Rot. Bonds5

About (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone (PubChem CID 103530161) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
PubChem CID103530161
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCCOc1cc(N)cc(C(=O)N2CC(OC)C(OC)C2)c1
InChIInChI=1S/C15H22N2O4/c1-4-21-12-6-10(5-11(16)7-12)15(18)17-8-13(19-2)14(9-17)20-3/h5-7,13-14H,4,8-9,16H2,1-3H3
InChIKeyDKYDNWFUXFHEOC-UHFFFAOYSA-N
XLogP1.15
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.15
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

(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955074
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
(3-amino-5-fluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530093
(3-amino-5-methoxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210906
(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206339
(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-(2-methoxycyclopentyl)benzamide
CID 81090807
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
(3,5-dihydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103579430
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 81094264

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone (CID 103530161) is (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone is CCOc1cc(N)cc(C(=O)N2CC(OC)C(OC)C2)c1.
What is the InChIKey of (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The InChIKey is DKYDNWFUXFHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-21-12-6-10(5-11(16)7-12)15(18)17-8-13(19-2)14(9-17)20-3/h5-7,13-14H,4,8-9,16H2,1-3H3.
What are the key properties of (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103530161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).