N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide

C28H35FN2O4 — CID 3452297

IUPACN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H35FN2O4/c1-34-10-8-30(27(33)28-14-21-11-22(15-28)13-23(12-21)16-28)19-26(32)31(18-25-3-2-9-35-25)17-20-4-6-24(29)7-5-20/h2-7,9,21-23H,8,10-19H2,1H3
InChIKeyIGISNBNALNPLLA-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.64
Rot. Bonds10

About N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide (PubChem CID 3452297) has the molecular formula C28H35FN2O4 and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
PubChem CID3452297
Molecular FormulaC28H35FN2O4
Molecular Weight482.60 g/mol
Exact Mass482.26
IUPAC NameN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H35FN2O4/c1-34-10-8-30(27(33)28-14-21-11-22(15-28)13-23(12-21)16-28)19-26(32)31(18-25-3-2-9-35-25)17-20-4-6-24(29)7-5-20/h2-7,9,21-23H,8,10-19H2,1H3
InChIKeyIGISNBNALNPLLA-UHFFFAOYSA-N
XLogP4.64
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 4021394
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42773483
trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 93110246
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 5054945
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4199823
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4054037
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5105102
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyladamantane-1-carboxamide
CID 3644401
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide (CID 3452297) is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide is COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
The InChIKey is IGISNBNALNPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O4/c1-34-10-8-30(27(33)28-14-21-11-22(15-28)13-23(12-21)16-28)19-26(32)31(18-25-3-2-9-35-25)17-20-4-6-24(29)7-5-20/h2-7,9,21-23H,8,10-19H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide is sourced from PubChem (CID 3452297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).