N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide

C21H32N4O3 — CID 119833608

IUPACN-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)CNCC3CCCO3)CC2)c1C
InChIInChI=1S/C21H32N4O3/c1-16-5-3-7-19(17(16)2)23-20(26)15-24-8-10-25(11-9-24)21(27)14-22-13-18-6-4-12-28-18/h3,5,7,18,22H,4,6,8-15H2,1-2H3,(H,23,26)
InChIKeyXYTWZGRCNIGQGU-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.15
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide (PubChem CID 119833608) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
PubChem CID119833608
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)CNCC3CCCO3)CC2)c1C
InChIInChI=1S/C21H32N4O3/c1-16-5-3-7-19(17(16)2)23-20(26)15-24-8-10-25(11-9-24)21(27)14-22-13-18-6-4-12-28-18/h3,5,7,18,22H,4,6,8-15H2,1-2H3,(H,23,26)
InChIKeyXYTWZGRCNIGQGU-UHFFFAOYSA-N
XLogP1.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[4-[2-amino-2-(oxan-4-yl)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120797140
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-(3-cyclopentyloxy-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 91645589
N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27859694
2-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694672
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide (CID 119833608) is N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)CNCC3CCCO3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide?
The InChIKey is XYTWZGRCNIGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-16-5-3-7-19(17(16)2)23-20(26)15-24-8-10-25(11-9-24)21(27)14-22-13-18-6-4-12-28-18/h3,5,7,18,22H,4,6,8-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 119833608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).