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

C26H35N3O2 — CID 43017874

IUPAC2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C26H35N3O2/c1-19(2)16-24(28-25(30)23-13-7-4-10-20(23)3)26(31)27-17-21-11-5-6-12-22(21)18-29-14-8-9-15-29/h4-7,10-13,19,24H,8-9,14-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyXZALBQSVUJDIFT-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.05
Rot. Bonds9

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

2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide (PubChem CID 43017874) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide
PubChem CID43017874
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCc1ccccc1CN1CCCC1
InChIInChI=1S/C26H35N3O2/c1-19(2)16-24(28-25(30)23-13-7-4-10-20(23)3)26(31)27-17-21-11-5-6-12-22(21)18-29-14-8-9-15-29/h4-7,10-13,19,24H,8-9,14-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyXZALBQSVUJDIFT-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
CID 46461356
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 8589123
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
5-[[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110986
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
2-methyl-N-[4-methyl-1-oxo-1-[[3-oxo-3-(prop-2-ynylamino)propyl]amino]pentan-2-yl]benzamide
CID 49209114
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
2-methyl-N-[4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-oxopentan-2-yl]benzamide
CID 86825605
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
CID 9483335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide (CID 43017874) is 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NCc1ccccc1CN1CCCC1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide?
The InChIKey is XZALBQSVUJDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-19(2)16-24(28-25(30)23-13-7-4-10-20(23)3)26(31)27-17-21-11-5-6-12-22(21)18-29-14-8-9-15-29/h4-7,10-13,19,24H,8-9,14-18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 4.05, 9 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-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide is sourced from PubChem (CID 43017874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).