N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide

C29H31N3O4 — CID 3220048

IUPACN'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
SMILESO=C(Nc1ccccc1)C(=O)N(C1CCCc2ccccc21)C(C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C29H31N3O4/c33-27(30-21-14-5-6-15-21)26(25-18-9-19-36-25)32(24-17-8-11-20-10-4-7-16-23(20)24)29(35)28(34)31-22-12-2-1-3-13-22/h1-4,7,9-10,12-13,16,18-19,21,24,26H,5-6,8,11,14-15,17H2,(H,30,33)(H,31,34)
InChIKeyJRAJZONAOBUDQO-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.92
Rot. Bonds6

About N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide

N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide (PubChem CID 3220048) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
PubChem CID3220048
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC NameN'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide
SMILESO=C(Nc1ccccc1)C(=O)N(C1CCCc2ccccc21)C(C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C29H31N3O4/c33-27(30-21-14-5-6-15-21)26(25-18-9-19-36-25)32(24-17-8-11-20-10-4-7-16-23(20)24)29(35)28(34)31-22-12-2-1-3-13-22/h1-4,7,9-10,12-13,16,18-19,21,24,26H,5-6,8,11,14-15,17H2,(H,30,33)(H,31,34)
InChIKeyJRAJZONAOBUDQO-UHFFFAOYSA-N
XLogP4.92
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
The IUPAC name of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide (CID 3220048) is N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide is O=C(Nc1ccccc1)C(=O)N(C1CCCc2ccccc21)C(C(=O)NC1CCCC1)c1ccco1.
What is the InChIKey of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
The InChIKey is JRAJZONAOBUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c33-27(30-21-14-5-6-15-21)26(25-18-9-19-36-25)32(24-17-8-11-20-10-4-7-16-23(20)24)29(35)28(34)31-22-12-2-1-3-13-22/h1-4,7,9-10,12-13,16,18-19,21,24,26H,5-6,8,11,14-15,17H2,(H,30,33)(H,31,34).
What are the key properties of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide?
N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide has a molecular weight of 485.58 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-phenyl-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)oxamide is sourced from PubChem (CID 3220048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).