N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide

C22H26N2O — CID 56703727

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)C1)C1Cc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22(21-12-19-8-4-5-9-20(19)13-21)23-14-18-10-11-24(16-18)15-17-6-2-1-3-7-17/h1-9,18,21H,10-16H2,(H,23,25)
InChIKeyFMDXTKQGBMJILU-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 56703727) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID56703727
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)C1)C1Cc2ccccc2C1
InChIInChI=1S/C22H26N2O/c25-22(21-12-19-8-4-5-9-20(19)13-21)23-14-18-10-11-24(16-18)15-17-6-2-1-3-7-17/h1-9,18,21H,10-16H2,(H,23,25)
InChIKeyFMDXTKQGBMJILU-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 56703727) is N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(NCC1CCN(Cc2ccccc2)C1)C1Cc2ccccc2C1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is FMDXTKQGBMJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(21-12-19-8-4-5-9-20(19)13-21)23-14-18-10-11-24(16-18)15-17-6-2-1-3-7-17/h1-9,18,21H,10-16H2,(H,23,25).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 56703727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).