N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide

C30H31N3O2 — CID 112835490

IUPACN-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C30H31N3O2/c1-4-20(2)32-30(35)24-14-10-11-22(17-24)19-31-28(34)18-26-21(3)33-27-16-9-8-15-25(27)29(26)23-12-6-5-7-13-23/h5-17,20H,4,18-19H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyWAJUFQAMAKIQAT-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.60
Rot. Bonds8

About N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 112835490) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
PubChem CID112835490
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1
InChIInChI=1S/C30H31N3O2/c1-4-20(2)32-30(35)24-14-10-11-22(17-24)19-31-28(34)18-26-21(3)33-27-16-9-8-15-25(27)29(26)23-12-6-5-7-13-23/h5-17,20H,4,18-19H2,1-3H3,(H,31,34)(H,32,35)
InChIKeyWAJUFQAMAKIQAT-UHFFFAOYSA-N
XLogP5.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 55749397
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 112814409
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112794841
methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112791596
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide (CID 112835490) is N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide?
The InChIKey is WAJUFQAMAKIQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-4-20(2)32-30(35)24-14-10-11-22(17-24)19-31-28(34)18-26-21(3)33-27-16-9-8-15-25(27)29(26)23-12-6-5-7-13-23/h5-17,20H,4,18-19H2,1-3H3,(H,31,34)(H,32,35).
What are the key properties of N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 465.60 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 112835490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).