N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide

C18H21N3O4 — CID 2117885

IUPACN-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O4/c22-17(7-8-19-18(23)16-2-1-11-25-16)20-14-3-5-15(6-4-14)21-9-12-24-13-10-21/h1-6,11H,7-10,12-13H2,(H,19,23)(H,20,22)
InChIKeyPMEMDVUEWXPMNT-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.87
Rot. Bonds6

About N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 2117885) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID2117885
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H21N3O4/c22-17(7-8-19-18(23)16-2-1-11-25-16)20-14-3-5-15(6-4-14)21-9-12-24-13-10-21/h1-6,11H,7-10,12-13H2,(H,19,23)(H,20,22)
InChIKeyPMEMDVUEWXPMNT-UHFFFAOYSA-N
XLogP1.87
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide (CID 2117885) is N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is PMEMDVUEWXPMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-17(7-8-19-18(23)16-2-1-11-25-16)20-14-3-5-15(6-4-14)21-9-12-24-13-10-21/h1-6,11H,7-10,12-13H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2117885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).