N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide

C19H31N3O4 — CID 4168501

IUPACN-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCCCN(CCC(=O)NCCCN1CCOCC1)C(=O)c1ccoc1
InChIInChI=1S/C19H31N3O4/c1-2-3-9-22(19(24)17-6-13-26-16-17)10-5-18(23)20-7-4-8-21-11-14-25-15-12-21/h6,13,16H,2-5,7-12,14-15H2,1H3,(H,20,23)
InChIKeyCWVWMEBUOZMOMK-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.75
Rot. Bonds11

About N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide

N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 4168501) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
PubChem CID4168501
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC NameN-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCCCN(CCC(=O)NCCCN1CCOCC1)C(=O)c1ccoc1
InChIInChI=1S/C19H31N3O4/c1-2-3-9-22(19(24)17-6-13-26-16-17)10-5-18(23)20-7-4-8-21-11-14-25-15-12-21/h6,13,16H,2-5,7-12,14-15H2,1H3,(H,20,23)
InChIKeyCWVWMEBUOZMOMK-UHFFFAOYSA-N
XLogP1.75
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
CID 3449289
2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
CID 7218508
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138237
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide (CID 4168501) is N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide is CCCCN(CCC(=O)NCCCN1CCOCC1)C(=O)c1ccoc1.
What is the InChIKey of N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is CWVWMEBUOZMOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-2-3-9-22(19(24)17-6-13-26-16-17)10-5-18(23)20-7-4-8-21-11-14-25-15-12-21/h6,13,16H,2-5,7-12,14-15H2,1H3,(H,20,23).
What are the key properties of N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide?
N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 1.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 4168501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).