2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide

C25H33N3O2 — CID 46461356

IUPAC2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-18(2)16-23(27-24(29)22-9-5-4-8-19(22)3)25(30)26-17-20-10-12-21(13-11-20)28-14-6-7-15-28/h4-5,8-13,18,23H,6-7,14-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyZWJSTUUYIOXAEC-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.06
Rot. Bonds8

About 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide

2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide (PubChem CID 46461356) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
PubChem CID46461356
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-18(2)16-23(27-24(29)22-9-5-4-8-19(22)3)25(30)26-17-20-10-12-21(13-11-20)28-14-6-7-15-28/h4-5,8-13,18,23H,6-7,14-17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyZWJSTUUYIOXAEC-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2S)-4-methyl-1-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 8589123
2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide
CID 43017874
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
CID 9483335
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CID 9254579
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide
CID 55624203
5-[[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110986
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-[4-methyl-1-oxo-1-[[3-oxo-3-(prop-2-ynylamino)propyl]amino]pentan-2-yl]benzamide
CID 49209114
2-methyl-N-[4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-oxopentan-2-yl]benzamide
CID 86825605
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide (CID 46461356) is 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide?
The InChIKey is ZWJSTUUYIOXAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18(2)16-23(27-24(29)22-9-5-4-8-19(22)3)25(30)26-17-20-10-12-21(13-11-20)28-14-6-7-15-28/h4-5,8-13,18,23H,6-7,14-17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide is sourced from PubChem (CID 46461356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).