N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide

C28H30N4O3 — CID 54841183

IUPACN-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C28H30N4O3/c1-31(20-21-9-3-2-4-10-21)27(34)22-11-8-14-25(18-22)30-26(33)19-29-24-13-7-12-23(17-24)28(35)32-15-5-6-16-32/h2-4,7-14,17-18,29H,5-6,15-16,19-20H2,1H3,(H,30,33)
InChIKeyYGBMVGLMUTWOBD-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.25
Rot. Bonds8

About N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54841183) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54841183
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C28H30N4O3/c1-31(20-21-9-3-2-4-10-21)27(34)22-11-8-14-25(18-22)30-26(33)19-29-24-13-7-12-23(17-24)28(35)32-15-5-6-16-32/h2-4,7-14,17-18,29H,5-6,15-16,19-20H2,1H3,(H,30,33)
InChIKeyYGBMVGLMUTWOBD-UHFFFAOYSA-N
XLogP4.25
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54830775
N-benzyl-N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54831877
N-benzyl-N-methyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843335
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54841183) is N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is YGBMVGLMUTWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31(20-21-9-3-2-4-10-21)27(34)22-11-8-14-25(18-22)30-26(33)19-29-24-13-7-12-23(17-24)28(35)32-15-5-6-16-32/h2-4,7-14,17-18,29H,5-6,15-16,19-20H2,1H3,(H,30,33).
What are the key properties of N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54841183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).