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

C27H35NO4 — CID 19413323

IUPACN-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4)o2)cc1
InChIInChI=1S/C27H35NO4/c1-3-25(27-14-18-11-19(15-27)13-20(12-18)16-27)28-26(29)24-10-9-23(32-24)17-31-22-7-5-21(6-8-22)30-4-2/h5-10,18-20,25H,3-4,11-17H2,1-2H3,(H,28,29)
InChIKeyIEPGKQNYCOCAEG-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.98
Rot. Bonds9

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

N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19413323) has the molecular formula C27H35NO4 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19413323
Molecular FormulaC27H35NO4
Molecular Weight437.58 g/mol
Exact Mass437.26
IUPAC NameN-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4)o2)cc1
InChIInChI=1S/C27H35NO4/c1-3-25(27-14-18-11-19(15-27)13-20(12-18)16-27)28-26(29)24-10-9-23(32-24)17-31-22-7-5-21(6-8-22)30-4-2/h5-10,18-20,25H,3-4,11-17H2,1-2H3,(H,28,29)
InChIKeyIEPGKQNYCOCAEG-UHFFFAOYSA-N
XLogP5.98
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450525
N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19456889
N-[1-(1-adamantyl)propyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452955
N-[1-(1-adamantyl)propyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
CID 19459528
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19448416
(E)-1-(1-adamantyl)-3-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19571230
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-[1-(1-adamantyl)propyl]-4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444002

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide (CID 19413323) is N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is CCOc1ccc(OCc2ccc(C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4)o2)cc1.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is IEPGKQNYCOCAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO4/c1-3-25(27-14-18-11-19(15-27)13-20(12-18)16-27)28-26(29)24-10-9-23(32-24)17-31-22-7-5-21(6-8-22)30-4-2/h5-10,18-20,25H,3-4,11-17H2,1-2H3,(H,28,29).
What are the key properties of N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide?
N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19413323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).