N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide

C21H28N2O5 — CID 39971238

IUPACN-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCCCCOc1ccc(CNC(=O)CCCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C21H28N2O5/c1-3-4-12-27-17-10-9-16(14-19(17)26-2)15-23-20(24)8-5-11-22-21(25)18-7-6-13-28-18/h6-7,9-10,13-14H,3-5,8,11-12,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNJGZTDUZSSMDKT-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.29
Rot. Bonds12

About N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 39971238) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID39971238
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCCCCOc1ccc(CNC(=O)CCCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C21H28N2O5/c1-3-4-12-27-17-10-9-16(14-19(17)26-2)15-23-20(24)8-5-11-22-21(25)18-7-6-13-28-18/h6-7,9-10,13-14H,3-5,8,11-12,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNJGZTDUZSSMDKT-UHFFFAOYSA-N
XLogP3.29
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55707327
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
CID 55845508
N-[2-[(4-butoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]furan-3-carboxamide
CID 39970273
N-[[4-[8-(diaminomethylideneamino)octoxy]-3-methoxyphenyl]methyl]nonanamide
CID 171348881
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide (CID 39971238) is N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide is CCCCOc1ccc(CNC(=O)CCCNC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is NJGZTDUZSSMDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-3-4-12-27-17-10-9-16(14-19(17)26-2)15-23-20(24)8-5-11-22-21(25)18-7-6-13-28-18/h6-7,9-10,13-14H,3-5,8,11-12,15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39971238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).