N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide

C17H22N2O4 — CID 42779623

IUPACN-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
SMILESCCCCNC(=O)CCN(Cc1ccco1)C(=O)c1ccoc1
InChIInChI=1S/C17H22N2O4/c1-2-3-8-18-16(20)6-9-19(12-15-5-4-10-23-15)17(21)14-7-11-22-13-14/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H,18,20)
InChIKeyQWABUAQVCWJWFS-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.82
Rot. Bonds9

About N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide

N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide (PubChem CID 42779623) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
PubChem CID42779623
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
SMILESCCCCNC(=O)CCN(Cc1ccco1)C(=O)c1ccoc1
InChIInChI=1S/C17H22N2O4/c1-2-3-8-18-16(20)6-9-19(12-15-5-4-10-23-15)17(21)14-7-11-22-13-14/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H,18,20)
InChIKeyQWABUAQVCWJWFS-UHFFFAOYSA-N
XLogP2.82
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.82
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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Related Compounds

N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
CID 3449289
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4685025
2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
CID 7218508
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
CID 4168501
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779610
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5071057

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide (CID 42779623) is N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide is CCCCNC(=O)CCN(Cc1ccco1)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is QWABUAQVCWJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-3-8-18-16(20)6-9-19(12-15-5-4-10-23-15)17(21)14-7-11-22-13-14/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H,18,20).
What are the key properties of N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide?
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 42779623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).