1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide

C16H22N2O3 — CID 137351433

IUPAC1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide
SMILESCCOc1ccccc1N1CCCC1(C(N)=O)C(=O)CC
InChIInChI=1S/C16H22N2O3/c1-3-14(19)16(15(17)20)10-7-11-18(16)12-8-5-6-9-13(12)21-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,20)
InChIKeyMEEZSKJYQNOSAP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.89
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide

1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide (PubChem CID 137351433) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide
PubChem CID137351433
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide
SMILESCCOc1ccccc1N1CCCC1(C(N)=O)C(=O)CC
InChIInChI=1S/C16H22N2O3/c1-3-14(19)16(15(17)20)10-7-11-18(16)12-8-5-6-9-13(12)21-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,20)
InChIKeyMEEZSKJYQNOSAP-UHFFFAOYSA-N
XLogP1.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-2,2-dimethyl-1,5-diazocane
CID 117014837
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
CID 75400034
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
1-(2-ethoxyphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017964
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 117003201

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide (CID 137351433) is 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide is CCOc1ccccc1N1CCCC1(C(N)=O)C(=O)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide?
The InChIKey is MEEZSKJYQNOSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-14(19)16(15(17)20)10-7-11-18(16)12-8-5-6-9-13(12)21-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide?
1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 137351433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).