N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide

C26H34N4O2 — CID 56542148

IUPACN-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCCC2CN2CCCC2)cc1
InChIInChI=1S/C26H34N4O2/c1-20-10-12-21(13-11-20)17-27-26(32)23-8-2-3-9-24(23)28-25(31)19-30-16-6-7-22(30)18-29-14-4-5-15-29/h2-3,8-13,22H,4-7,14-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyYFUYXVDXFGZABD-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.42
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide

N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide (PubChem CID 56542148) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
PubChem CID56542148
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCCC2CN2CCCC2)cc1
InChIInChI=1S/C26H34N4O2/c1-20-10-12-21(13-11-20)17-27-26(32)23-8-2-3-9-24(23)28-25(31)19-30-16-6-7-22(30)18-29-14-4-5-15-29/h2-3,8-13,22H,4-7,14-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyYFUYXVDXFGZABD-UHFFFAOYSA-N
XLogP3.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119679399
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 26608344
N-[(4-methylphenyl)methyl]-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119679398
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 75921586
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide (CID 56542148) is N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCCC2CN2CCCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is YFUYXVDXFGZABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-20-10-12-21(13-11-20)17-27-26(32)23-8-2-3-9-24(23)28-25(31)19-30-16-6-7-22(30)18-29-14-4-5-15-29/h2-3,8-13,22H,4-7,14-19H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 434.58 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 56542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).