N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide

C22H31NO2 — CID 7929555

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H31NO2/c1-14(2)25-20-6-4-19(5-7-20)21(24)23-15(3)22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18H,8-13H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1
InChIKeyFYCGKAULPDYENC-NOCBQHASSA-N
MW341.50 g/mol
LogP4.81
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide

N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 7929555) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
PubChem CID7929555
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H31NO2/c1-14(2)25-20-6-4-19(5-7-20)21(24)23-15(3)22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18H,8-13H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1
InChIKeyFYCGKAULPDYENC-NOCBQHASSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-4-cyanobenzamide
CID 7689203
N-[(1R)-1-(1-adamantyl)ethyl]-4-nitrobenzamide
CID 7331710
N-[1-(1-adamantyl)ethyl]-3,5-dimethoxybenzamide
CID 2834608
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
N-[(1S)-1-(1-adamantyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 7689154
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)propanamide
CID 7929464
N-[1-(1-adamantyl)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55738276

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide (CID 7929555) is N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is FYCGKAULPDYENC-NOCBQHASSA-N. The full InChI is InChI=1S/C22H31NO2/c1-14(2)25-20-6-4-19(5-7-20)21(24)23-15(3)22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18H,8-13H2,1-3H3,(H,23,24)/t15-,16?,17?,18?,22?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 341.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7929555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).