5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide

C27H42N2O3 — CID 19452718

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C27H42N2O3/c1-6-8-10-16-29(17-11-9-7-2)19-23(5)28-27(30)25-15-14-24(32-25)20-31-26-18-21(3)12-13-22(26)4/h12-15,18,23H,6-11,16-17,19-20H2,1-5H3,(H,28,30)
InChIKeyUURFTWXEXYEUOC-UHFFFAOYSA-N
MW442.64 g/mol
LogP6.28
Rot. Bonds15

About 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 19452718) has the molecular formula C27H42N2O3 and a molecular weight of 442.64 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
PubChem CID19452718
Molecular FormulaC27H42N2O3
Molecular Weight442.64 g/mol
Exact Mass442.32
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccc(COc2cc(C)ccc2C)o1
InChIInChI=1S/C27H42N2O3/c1-6-8-10-16-29(17-11-9-7-2)19-23(5)28-27(30)25-15-14-24(32-25)20-31-26-18-21(3)12-13-22(26)4/h12-15,18,23H,6-11,16-17,19-20H2,1-5H3,(H,28,30)
InChIKeyUURFTWXEXYEUOC-UHFFFAOYSA-N
XLogP6.28
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.64
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide
CID 19461877
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110280110
N-[3-(dimethylamino)-2-hydroxypropyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110281214
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19462556
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110279457
1-[3-(diethylamino)propyl]-3-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]thiourea
CID 4865160

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide (CID 19452718) is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide is CCCCCN(CCCCC)CC(C)NC(=O)c1ccc(COc2cc(C)ccc2C)o1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is UURFTWXEXYEUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O3/c1-6-8-10-16-29(17-11-9-7-2)19-23(5)28-27(30)25-15-14-24(32-25)20-31-26-18-21(3)12-13-22(26)4/h12-15,18,23H,6-11,16-17,19-20H2,1-5H3,(H,28,30).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 442.64 g/mol, XLogP of 6.28, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-(dipentylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19452718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).