N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C26H32ClNO3 — CID 19580675

IUPACN-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c(C(C)C)cc1Cl
InChIInChI=1S/C26H32ClNO3/c1-15(2)21-10-22(27)16(3)6-24(21)30-14-20-4-5-23(31-20)25(29)28-26-11-17-7-18(12-26)9-19(8-17)13-26/h4-6,10,15,17-19H,7-9,11-14H2,1-3H3,(H,28,29)
InChIKeyLAOGNQFFOIGRIZ-UHFFFAOYSA-N
MW442.00 g/mol
LogP6.64
Rot. Bonds6

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

N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19580675) has the molecular formula C26H32ClNO3 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19580675
Molecular FormulaC26H32ClNO3
Molecular Weight442.00 g/mol
Exact Mass441.21
IUPAC NameN-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c(C(C)C)cc1Cl
InChIInChI=1S/C26H32ClNO3/c1-15(2)21-10-22(27)16(3)6-24(21)30-14-20-4-5-23(31-20)25(29)28-26-11-17-7-18(12-26)9-19(8-17)13-26/h4-6,10,15,17-19H,7-9,11-14H2,1-3H3,(H,28,29)
InChIKeyLAOGNQFFOIGRIZ-UHFFFAOYSA-N
XLogP6.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.00
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxylate
CID 7015019
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19447024
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7945278
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19447010
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393451
1-(1-adamantyl)-3-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]urea
CID 4179445
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19446987
N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19447013
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19447050
propan-2-yl 2-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19447021
N-[4-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19448686
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19448655

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19580675) is N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c(C(C)C)cc1Cl.
What is the InChIKey of N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is LAOGNQFFOIGRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClNO3/c1-15(2)21-10-22(27)16(3)6-24(21)30-14-20-4-5-23(31-20)25(29)28-26-11-17-7-18(12-26)9-19(8-17)13-26/h4-6,10,15,17-19H,7-9,11-14H2,1-3H3,(H,28,29).
What are the key properties of N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 442.00 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19580675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).