N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide

C29H39NO3 — CID 19450525

IUPACN-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4)o2)cc1
InChIInChI=1S/C29H39NO3/c1-4-19(3)23-6-8-24(9-7-23)32-18-25-10-11-26(33-25)28(31)30-27(5-2)29-15-20-12-21(16-29)14-22(13-20)17-29/h6-11,19-22,27H,4-5,12-18H2,1-3H3,(H,30,31)
InChIKeyJOELXKSJYKKGTD-UHFFFAOYSA-N
MW449.64 g/mol
LogP7.10
Rot. Bonds9

About N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19450525) has the molecular formula C29H39NO3 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19450525
Molecular FormulaC29H39NO3
Molecular Weight449.64 g/mol
Exact Mass449.29
IUPAC NameN-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4)o2)cc1
InChIInChI=1S/C29H39NO3/c1-4-19(3)23-6-8-24(9-7-23)32-18-25-10-11-26(33-25)28(31)30-27(5-2)29-15-20-12-21(16-29)14-22(13-20)17-29/h6-11,19-22,27H,4-5,12-18H2,1-3H3,(H,30,31)
InChIKeyJOELXKSJYKKGTD-UHFFFAOYSA-N
XLogP7.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]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-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413323
N-[1-(1-adamantyl)propyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446640
N-[1-(1-adamantyl)propyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413535
N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19456889
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-[1-(1-adamantyl)propyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452955
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
N-[1-(1-adamantyl)propyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
CID 19459528
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
N-[1-(4-butan-2-ylphenyl)propyl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458905

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19450525) is N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide is CCC(C)c1ccc(OCc2ccc(C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4)o2)cc1.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is JOELXKSJYKKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO3/c1-4-19(3)23-6-8-24(9-7-23)32-18-25-10-11-26(33-25)28(31)30-27(5-2)29-15-20-12-21(16-29)14-22(13-20)17-29/h6-11,19-22,27H,4-5,12-18H2,1-3H3,(H,30,31).
What are the key properties of N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 449.64 g/mol, XLogP of 7.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19450525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).