N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide

C22H30N2O3 — CID 9046358

IUPACN-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O3/c1-14(22-10-15-7-16(11-22)9-17(8-15)12-22)24-20(25)13-23-21(26)18-3-5-19(27-2)6-4-18/h3-6,14-17H,7-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyRYXJYWDFBSNBEO-XSXQVXRUSA-N
MW370.49 g/mol
LogP3.15
Rot. Bonds6

About N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide

N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 9046358) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
PubChem CID9046358
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O3/c1-14(22-10-15-7-16(11-22)9-17(8-15)12-22)24-20(25)13-23-21(26)18-3-5-19(27-2)6-4-18/h3-6,14-17H,7-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyRYXJYWDFBSNBEO-XSXQVXRUSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 17454177
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7929308
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
N-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46557706
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7695372

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide (CID 9046358) is N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is RYXJYWDFBSNBEO-XSXQVXRUSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(22-10-15-7-16(11-22)9-17(8-15)12-22)24-20(25)13-23-21(26)18-3-5-19(27-2)6-4-18/h3-6,14-17H,7-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,15?,16?,17?,22?/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 370.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 9046358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).