(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone

C17H26N2O2 — CID 81395801

IUPAC(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCC(CC)(CC)C1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)10-11-19(12-17)16(20)15-13(18)8-7-9-14(15)21-6-3/h7-9H,4-6,10-12,18H2,1-3H3
InChIKeyVKROXOBHZUATGE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds5

About (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone

(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone (PubChem CID 81395801) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
PubChem CID81395801
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
SMILESCCOc1cccc(N)c1C(=O)N1CCC(CC)(CC)C1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)10-11-19(12-17)16(20)15-13(18)8-7-9-14(15)21-6-3/h7-9H,4-6,10-12,18H2,1-3H3
InChIKeyVKROXOBHZUATGE-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81394866
1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 81395178
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
CID 81393685
4-(2-amino-6-ethoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888141
(3-amino-2-chlorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 112576059
(2-amino-6-ethoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420725
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
(2-amino-6-ethoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81394683
(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 81396467
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone (CID 81395801) is (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone is CCOc1cccc(N)c1C(=O)N1CCC(CC)(CC)C1.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone?
The InChIKey is VKROXOBHZUATGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(5-2)10-11-19(12-17)16(20)15-13(18)8-7-9-14(15)21-6-3/h7-9H,4-6,10-12,18H2,1-3H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone?
(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81395801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).