N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide

C24H29NO2 — CID 7371510

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29NO2/c1-15-21(11-22(27-15)20-6-4-3-5-7-20)23(26)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,16-19H,8-10,12-14H2,1-2H3,(H,25,26)/t16-,17?,18?,19?,24?/m0/s1
InChIKeyXYXJKCCYXGAATF-RNXZQOMOSA-N
MW363.50 g/mol
LogP5.59
Rot. Bonds4

About N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 7371510) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID7371510
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29NO2/c1-15-21(11-22(27-15)20-6-4-3-5-7-20)23(26)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,16-19H,8-10,12-14H2,1-2H3,(H,25,26)/t16-,17?,18?,19?,24?/m0/s1
InChIKeyXYXJKCCYXGAATF-RNXZQOMOSA-N
XLogP5.59
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
N-[1-(1-adamantyl)ethyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 17437463
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248
N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7777626
N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide
CID 7689217
N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
CID 94792798
N-[1-(1-adamantyl)ethyl]-2-hydroxy-2,2-diphenylacetamide
CID 3762847
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[1-(1-adamantyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4060319
N-[1-(1-adamantyl)ethyl]-3-(2-oxochromen-3-yl)benzamide
CID 3929937

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 7371510) is N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is XYXJKCCYXGAATF-RNXZQOMOSA-N. The full InChI is InChI=1S/C24H29NO2/c1-15-21(11-22(27-15)20-6-4-3-5-7-20)23(26)25-16(2)24-12-17-8-18(13-24)10-19(9-17)14-24/h3-7,11,16-19H,8-10,12-14H2,1-2H3,(H,25,26)/t16-,17?,18?,19?,24?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 7371510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).