[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate

C23H24N2O4 — CID 18169764

IUPAC[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O4/c26-22(24-20-10-11-25(14-20)13-17-6-2-1-3-7-17)16-29-23(27)19-12-18-8-4-5-9-21(18)28-15-19/h1-9,12,20H,10-11,13-16H2,(H,24,26)
InChIKeyPQZHAHAZSZQTLT-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.40
Rot. Bonds6

About [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate

[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 18169764) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID18169764
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O4/c26-22(24-20-10-11-25(14-20)13-17-6-2-1-3-7-17)16-29-23(27)19-12-18-8-4-5-9-21(18)28-15-19/h1-9,12,20H,10-11,13-16H2,(H,24,26)
InChIKeyPQZHAHAZSZQTLT-UHFFFAOYSA-N
XLogP2.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 3-aminobenzoate
CID 23744527
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 16611260
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483

Frequently Asked Questions

What is the IUPAC name of [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate (CID 18169764) is [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is PQZHAHAZSZQTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(24-20-10-11-25(14-20)13-17-6-2-1-3-7-17)16-29-23(27)19-12-18-8-4-5-9-21(18)28-15-19/h1-9,12,20H,10-11,13-16H2,(H,24,26).
What are the key properties of [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 18169764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).