N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide

C22H30N2O4 — CID 4194613

IUPACN-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
SMILESCOCCCN(CCC(=O)NCCc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C22H30N2O4/c1-17-16-20(18(2)28-17)22(26)24(13-7-15-27-3)14-11-21(25)23-12-10-19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,23,25)
InChIKeyROQBAPWVTYJNOV-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.12
Rot. Bonds11

About N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide

N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide (PubChem CID 4194613) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
PubChem CID4194613
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
SMILESCOCCCN(CCC(=O)NCCc1ccccc1)C(=O)c1cc(C)oc1C
InChIInChI=1S/C22H30N2O4/c1-17-16-20(18(2)28-17)22(26)24(13-7-15-27-3)14-11-21(25)23-12-10-19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,23,25)
InChIKeyROQBAPWVTYJNOV-UHFFFAOYSA-N
XLogP3.12
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide (CID 4194613) is N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide is COCCCN(CCC(=O)NCCc1ccccc1)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
The InChIKey is ROQBAPWVTYJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-17-16-20(18(2)28-17)22(26)24(13-7-15-27-3)14-11-21(25)23-12-10-19-8-5-4-6-9-19/h4-6,8-9,16H,7,10-15H2,1-3H3,(H,23,25).
What are the key properties of N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide?
N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 4194613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).