N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide

C29H34N2O — CID 42863585

IUPACN-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C2CN(Cc3ccccc3)CC2CN(C(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C29H34N2O/c1-22(2)31(29(32)26-12-8-5-9-13-26)20-27-19-30(18-24-10-6-4-7-11-24)21-28(27)25-16-14-23(3)15-17-25/h4-17,22,27-28H,18-21H2,1-3H3
InChIKeyGMMQJENTDFGRRD-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.76
Rot. Bonds7

About N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide

N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 42863585) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID42863585
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC NameN-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(C2CN(Cc3ccccc3)CC2CN(C(=O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C29H34N2O/c1-22(2)31(29(32)26-12-8-5-9-13-26)20-27-19-30(18-24-10-6-4-7-11-24)21-28(27)25-16-14-23(3)15-17-25/h4-17,22,27-28H,18-21H2,1-3H3
InChIKeyGMMQJENTDFGRRD-UHFFFAOYSA-N
XLogP5.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S,4R)-4-(4-methylphenyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 129427278
N-[[(3R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992590
N-[[(3R,4S)-4-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992585
N-[[(3R,4S)-1-[(5-methylfuran-2-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992591
N-[[(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992335
N-[[(3S,4R)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98634977
4-fluoro-N-[[(3R,4S)-4-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992567
N-[[(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 100897552
4-fluoro-N-[[4-(4-fluorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 42864074
4-fluoro-N-[[(3S,4S)-4-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992519
4-fluoro-N-[[1-[(1-methylpyrrol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46062983
4-fluoro-N-[[(3R,4S)-1-[(3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98634800

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide (CID 42863585) is N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide is Cc1ccc(C2CN(Cc3ccccc3)CC2CN(C(=O)c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is GMMQJENTDFGRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-22(2)31(29(32)26-12-8-5-9-13-26)20-27-19-30(18-24-10-6-4-7-11-24)21-28(27)25-16-14-23(3)15-17-25/h4-17,22,27-28H,18-21H2,1-3H3.
What are the key properties of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide?
N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 426.60 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42863585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).