N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide

C22H26N4O3 — CID 166207297

IUPACN'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C22H26N4O3/c1-16(27)24-18-9-11-19(12-10-18)25-22(29)21(28)23-14-20-8-5-13-26(20)15-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-15H2,1H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyHULNSAHYRBXDHZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.36
Rot. Bonds6

About N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide

N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide (PubChem CID 166207297) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
PubChem CID166207297
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C22H26N4O3/c1-16(27)24-18-9-11-19(12-10-18)25-22(29)21(28)23-14-20-8-5-13-26(20)15-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-15H2,1H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyHULNSAHYRBXDHZ-UHFFFAOYSA-N
XLogP2.36
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
2-[[[(1-benzylpyrrolidin-2-yl)methylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111985242
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
CID 136525958
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide (CID 166207297) is N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide?
The InChIKey is HULNSAHYRBXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(27)24-18-9-11-19(12-10-18)25-22(29)21(28)23-14-20-8-5-13-26(20)15-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-15H2,1H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide?
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide has a molecular weight of 394.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide is sourced from PubChem (CID 166207297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).