N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide

C22H28N4O4 — CID 86881160

IUPACN'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide
SMILESCc1ccc(C(CNC(=O)C(=O)Nc2cccc(C(=O)N(C)C)c2)N2CCCC2)o1
InChIInChI=1S/C22H28N4O4/c1-15-9-10-19(30-15)18(26-11-4-5-12-26)14-23-20(27)21(28)24-17-8-6-7-16(13-17)22(29)25(2)3/h6-10,13,18H,4-5,11-12,14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyCKFRCZJNODAUTE-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.18
Rot. Bonds6

About N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide

N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide (PubChem CID 86881160) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide
PubChem CID86881160
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide
SMILESCc1ccc(C(CNC(=O)C(=O)Nc2cccc(C(=O)N(C)C)c2)N2CCCC2)o1
InChIInChI=1S/C22H28N4O4/c1-15-9-10-19(30-15)18(26-11-4-5-12-26)14-23-20(27)21(28)24-17-8-6-7-16(13-17)22(29)25(2)3/h6-10,13,18H,4-5,11-12,14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyCKFRCZJNODAUTE-UHFFFAOYSA-N
XLogP2.18
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethynylphenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95733924
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
N'-(3-acetamidophenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]oxamide
CID 41398247
3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 75419402
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987253
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide?
The IUPAC name of N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide (CID 86881160) is N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide.
What is the SMILES notation for N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide?
The canonical SMILES for N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide is Cc1ccc(C(CNC(=O)C(=O)Nc2cccc(C(=O)N(C)C)c2)N2CCCC2)o1.
What is the InChIKey of N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide?
The InChIKey is CKFRCZJNODAUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-9-10-19(30-15)18(26-11-4-5-12-26)14-23-20(27)21(28)24-17-8-6-7-16(13-17)22(29)25(2)3/h6-10,13,18H,4-5,11-12,14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide?
N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide has a molecular weight of 412.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylcarbamoyl)phenyl]-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]oxamide is sourced from PubChem (CID 86881160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).