N-(2-adamantyl)-3-(2-methylpropoxy)benzamide

C21H29NO2 — CID 893118

IUPACN-(2-adamantyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H29NO2/c1-13(2)12-24-19-5-3-4-16(11-19)21(23)22-20-17-7-14-6-15(9-17)10-18(20)8-14/h3-5,11,13-15,17-18,20H,6-10,12H2,1-2H3,(H,22,23)
InChIKeyCRANKYFWKSGYOT-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.28
Rot. Bonds5

About N-(2-adamantyl)-3-(2-methylpropoxy)benzamide

N-(2-adamantyl)-3-(2-methylpropoxy)benzamide (PubChem CID 893118) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(2-methylpropoxy)benzamide
PubChem CID893118
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN-(2-adamantyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C21H29NO2/c1-13(2)12-24-19-5-3-4-16(11-19)21(23)22-20-17-7-14-6-15(9-17)10-18(20)8-14/h3-5,11,13-15,17-18,20H,6-10,12H2,1-2H3,(H,22,23)
InChIKeyCRANKYFWKSGYOT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-adamantyl)-3-(2-methylpropoxy)benzamide 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-(2-adamantyl)-3-phenylmethoxybenzamide
CID 1314081
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
CID 114630870
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
N-cyclopentyloxy-3-(2-methylpropoxy)benzamide
CID 83201941
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
(2S)-3-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]butanoic acid
CID 61136776
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-adamantyl)-3-(2-methylpropoxy)benzamide (CID 893118) is N-(2-adamantyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-adamantyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-adamantyl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(2-adamantyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is CRANKYFWKSGYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-13(2)12-24-19-5-3-4-16(11-19)21(23)22-20-17-7-14-6-15(9-17)10-18(20)8-14/h3-5,11,13-15,17-18,20H,6-10,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-adamantyl)-3-(2-methylpropoxy)benzamide?
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 327.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 893118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).