N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide

C23H24N2O4 — CID 55845508

IUPACN-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H24N2O4/c26-22(12-5-13-24-23(27)21-11-6-14-28-21)25-16-19-9-4-10-20(15-19)29-17-18-7-2-1-3-8-18/h1-4,6-11,14-15H,5,12-13,16-17H2,(H,24,27)(H,25,26)
InChIKeySMKBDROPYUIKMI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.68
Rot. Bonds10

About N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide

N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide (PubChem CID 55845508) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
PubChem CID55845508
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H24N2O4/c26-22(12-5-13-24-23(27)21-11-6-14-28-21)25-16-19-9-4-10-20(15-19)29-17-18-7-2-1-3-8-18/h1-4,6-11,14-15H,5,12-13,16-17H2,(H,24,27)(H,25,26)
InChIKeySMKBDROPYUIKMI-UHFFFAOYSA-N
XLogP3.68
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-[(3-sulfamoylphenyl)methylamino]butyl]furan-2-carboxamide
CID 32563567
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
CID 32603356
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
tert-butyl N-[3-oxo-3-[(3-phenylmethoxyphenyl)methylamino]propyl]carbamate
CID 55846532
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
3-(2-oxo-1-pyridinyl)-N-[(3-phenylmethoxyphenyl)methyl]propanamide
CID 87018968
N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55843576
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide (CID 55845508) is N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide?
The InChIKey is SMKBDROPYUIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(12-5-13-24-23(27)21-11-6-14-28-21)25-16-19-9-4-10-20(15-19)29-17-18-7-2-1-3-8-18/h1-4,6-11,14-15H,5,12-13,16-17H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide?
N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide is sourced from PubChem (CID 55845508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).