N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide

C27H30N4O2 — CID 166355412

IUPACN-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCC1CN(Cc2ccccc2)CC1NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H30N4O2/c1-20-17-31(18-22-11-6-3-7-12-22)19-25(20)30-27(33)29-24-14-8-13-23(15-24)26(32)28-16-21-9-4-2-5-10-21/h2-15,20,25H,16-19H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyWLCFIMGVRVUHQF-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.26
Rot. Bonds7

About N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide

N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide (PubChem CID 166355412) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide
PubChem CID166355412
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCC1CN(Cc2ccccc2)CC1NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C27H30N4O2/c1-20-17-31(18-22-11-6-3-7-12-22)19-25(20)30-27(33)29-24-14-8-13-23(15-24)26(32)28-16-21-9-4-2-5-10-21/h2-15,20,25H,16-19H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyWLCFIMGVRVUHQF-UHFFFAOYSA-N
XLogP4.26
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122010099
3-[(1-benzyl-4-methylpyrrolidin-3-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381978
3-[[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]carbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166382027
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
CID 98873287
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129446372
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99108818
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
The IUPAC name of N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide (CID 166355412) is N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
The canonical SMILES for N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide is CC1CN(Cc2ccccc2)CC1NC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
The InChIKey is WLCFIMGVRVUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-20-17-31(18-22-11-6-3-7-12-22)19-25(20)30-27(33)29-24-14-8-13-23(15-24)26(32)28-16-21-9-4-2-5-10-21/h2-15,20,25H,16-19H2,1H3,(H,28,32)(H2,29,30,33).
What are the key properties of N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide?
N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide is sourced from PubChem (CID 166355412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).