N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide

C21H29NO2 — CID 8990543

IUPACN-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO2/c1-14-3-5-19(6-4-14)20(23)22-13-15(2)24-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,15-18H,7-13H2,1-2H3,(H,22,23)/t15-,16?,17?,18?,21?/m1/s1
InChIKeyOIERFJRCUWHLOI-NEFAXPCMSA-N
MW327.47 g/mol
LogP4.10
Rot. Bonds5

About N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide

N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide (PubChem CID 8990543) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
PubChem CID8990543
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H29NO2/c1-14-3-5-19(6-4-14)20(23)22-13-15(2)24-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,15-18H,7-13H2,1-2H3,(H,22,23)/t15-,16?,17?,18?,21?/m1/s1
InChIKeyOIERFJRCUWHLOI-NEFAXPCMSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(1-adamantyloxy)propyl]-4-methylbenzamide
CID 8990544
N-[(2S)-2-(1-adamantyloxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 7319718
N-[(2S)-2-(1-adamantyloxy)propyl]-2,3,4-trimethoxybenzamide
CID 7322140
N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
CID 4916655
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972027
methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate
CID 7079957
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
N-[4-[[(2R)-2-(1-adamantyloxy)propyl]sulfamoyl]phenyl]acetamide
CID 7304987
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide?
The IUPAC name of N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide (CID 8990543) is N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@@H](C)OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide?
The InChIKey is OIERFJRCUWHLOI-NEFAXPCMSA-N. The full InChI is InChI=1S/C21H29NO2/c1-14-3-5-19(6-4-14)20(23)22-13-15(2)24-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,15-18H,7-13H2,1-2H3,(H,22,23)/t15-,16?,17?,18?,21?/m1/s1.
What are the key properties of N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide?
N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide has a molecular weight of 327.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-adamantyloxy)propyl]-4-methylbenzamide is sourced from PubChem (CID 8990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).