N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide

C21H29NO3 — CID 2834608

IUPACN-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H29NO3/c1-13(21-10-14-4-15(11-21)6-16(5-14)12-21)22-20(23)17-7-18(24-2)9-19(8-17)25-3/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,22,23)
InChIKeyIDKBLYSMKPRUNH-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide

N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 2834608) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID2834608
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H29NO3/c1-13(21-10-14-4-15(11-21)6-16(5-14)12-21)22-20(23)17-7-18(24-2)9-19(8-17)25-3/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,22,23)
InChIKeyIDKBLYSMKPRUNH-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324
N-[(1R)-1-(1-adamantyl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 7309342
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide
CID 40783712
N-[1-(1-adamantyl)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55738276
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide (CID 2834608) is N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is IDKBLYSMKPRUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-13(21-10-14-4-15(11-21)6-16(5-14)12-21)22-20(23)17-7-18(24-2)9-19(8-17)25-3/h7-9,13-16H,4-6,10-12H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide?
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 343.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2834608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).