N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide

C18H25N5O5 — CID 154395454

IUPACN-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide
SMILESCCN(CC)CCN(CCOc1cnc(-c2ccc([N+](=O)[O-])o2)nc1)C(C)=O
InChIInChI=1S/C18H25N5O5/c1-4-21(5-2)8-9-22(14(3)24)10-11-27-15-12-19-18(20-13-15)16-6-7-17(28-16)23(25)26/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyNSJJTPKNFIRDNV-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.21
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide

N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide (PubChem CID 154395454) has the molecular formula C18H25N5O5 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide
PubChem CID154395454
Molecular FormulaC18H25N5O5
Molecular Weight391.43 g/mol
Exact Mass391.19
IUPAC NameN-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide
SMILESCCN(CC)CCN(CCOc1cnc(-c2ccc([N+](=O)[O-])o2)nc1)C(C)=O
InChIInChI=1S/C18H25N5O5/c1-4-21(5-2)8-9-22(14(3)24)10-11-27-15-12-19-18(20-13-15)16-6-7-17(28-16)23(25)26/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyNSJJTPKNFIRDNV-UHFFFAOYSA-N
XLogP2.21
TPSA114.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide (CID 154395454) is N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide is CCN(CC)CCN(CCOc1cnc(-c2ccc([N+](=O)[O-])o2)nc1)C(C)=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide?
The InChIKey is NSJJTPKNFIRDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O5/c1-4-21(5-2)8-9-22(14(3)24)10-11-27-15-12-19-18(20-13-15)16-6-7-17(28-16)23(25)26/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide?
N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.21, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-[2-[2-(5-nitrofuran-2-yl)pyrimidin-5-yl]oxyethyl]acetamide is sourced from PubChem (CID 154395454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).