2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide

C20H31N3O2 — CID 119536547

IUPAC2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCCC1CCNC1
InChIInChI=1S/C20H31N3O2/c1-14(2)12-18(20(25)22-11-9-16-8-10-21-13-16)23-19(24)17-7-5-4-6-15(17)3/h4-7,14,16,18,21H,8-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDZYMCMUYUXXHQO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.26
Rot. Bonds8

About 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide

2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide (PubChem CID 119536547) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide
PubChem CID119536547
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCCC1CCNC1
InChIInChI=1S/C20H31N3O2/c1-14(2)12-18(20(25)22-11-9-16-8-10-21-13-16)23-19(24)17-7-5-4-6-15(17)3/h4-7,14,16,18,21H,8-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDZYMCMUYUXXHQO-UHFFFAOYSA-N
XLogP2.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
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N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
CID 120651928
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 120577941
2-methyl-N-[4-methyl-1-oxo-1-[[3-oxo-3-(prop-2-ynylamino)propyl]amino]pentan-2-yl]benzamide
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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
cis-(1S,3R)-3-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676661
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide (CID 119536547) is 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NCCC1CCNC1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide?
The InChIKey is DZYMCMUYUXXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)12-18(20(25)22-11-9-16-8-10-21-13-16)23-19(24)17-7-5-4-6-15(17)3/h4-7,14,16,18,21H,8-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 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-3-ylethylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 119536547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).