N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide

C24H31N3O5 — CID 3220053

IUPACN'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
SMILESCOCCNC(=O)C(c1ccco1)N(C(=O)C(=O)Nc1cccc(C)c1C)C1CCCC1
InChIInChI=1S/C24H31N3O5/c1-16-8-6-11-19(17(16)2)26-23(29)24(30)27(18-9-4-5-10-18)21(20-12-7-14-32-20)22(28)25-13-15-31-3/h6-8,11-12,14,18,21H,4-5,9-10,13,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySQFAPHMGJNHDLG-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.11
Rot. Bonds8

About N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide

N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide (PubChem CID 3220053) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
PubChem CID3220053
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
SMILESCOCCNC(=O)C(c1ccco1)N(C(=O)C(=O)Nc1cccc(C)c1C)C1CCCC1
InChIInChI=1S/C24H31N3O5/c1-16-8-6-11-19(17(16)2)26-23(29)24(30)27(18-9-4-5-10-18)21(20-12-7-14-32-20)22(28)25-13-15-31-3/h6-8,11-12,14,18,21H,4-5,9-10,13,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySQFAPHMGJNHDLG-UHFFFAOYSA-N
XLogP3.11
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
CID 25412483
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
CID 7406773
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744
2-[cyclopentyl(methyl)amino]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 51282081
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 1469023
N-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide
CID 71922388
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
CID 3220048
methyl 2-[[cyclohexyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 5039484
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide (CID 3220053) is N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide is COCCNC(=O)C(c1ccco1)N(C(=O)C(=O)Nc1cccc(C)c1C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The InChIKey is SQFAPHMGJNHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-16-8-6-11-19(17(16)2)26-23(29)24(30)27(18-9-4-5-10-18)21(20-12-7-14-32-20)22(28)25-13-15-31-3/h6-8,11-12,14,18,21H,4-5,9-10,13,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide has a molecular weight of 441.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 3220053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).