N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide

C26H35N3O5 — CID 652997

IUPACN-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCOCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1C
InChIInChI=1S/C26H35N3O5/c1-3-33-16-9-15-29(23(30)18-27-25(31)22-14-8-17-34-22)24(21-13-7-4-10-19(21)2)26(32)28-20-11-5-6-12-20/h4,7-8,10,13-14,17,20,24H,3,5-6,9,11-12,15-16,18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyMQXJLMGPJRDIFV-UHFFFAOYSA-N
MW469.58 g/mol
LogP3.37
Rot. Bonds12

About N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 652997) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID652997
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC NameN-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCOCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1C
InChIInChI=1S/C26H35N3O5/c1-3-33-16-9-15-29(23(30)18-27-25(31)22-14-8-17-34-22)24(21-13-7-4-10-19(21)2)26(32)28-20-11-5-6-12-20/h4,7-8,10,13-14,17,20,24H,3,5-6,9,11-12,15-16,18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyMQXJLMGPJRDIFV-UHFFFAOYSA-N
XLogP3.37
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 652997) is N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide is CCOCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1C.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MQXJLMGPJRDIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-3-33-16-9-15-29(23(30)18-27-25(31)22-14-8-17-34-22)24(21-13-7-4-10-19(21)2)26(32)28-20-11-5-6-12-20/h4,7-8,10,13-14,17,20,24H,3,5-6,9,11-12,15-16,18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 469.58 g/mol, XLogP of 3.37, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(3-ethoxypropyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 652997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).