N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide

C20H25N5O — CID 7769655

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N5O/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(26)17-2-4-18(5-3-17)25-12-21-23-24-25/h2-5,12-16H,6-11H2,1H3,(H,22,26)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyWMIYUNUDCKDGNH-XXWNAHEMSA-N
MW351.45 g/mol
LogP3.00
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide

N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 7769655) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID7769655
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N5O/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(26)17-2-4-18(5-3-17)25-12-21-23-24-25/h2-5,12-16H,6-11H2,1H3,(H,22,26)/t13-,14?,15?,16?,20?/m1/s1
InChIKeyWMIYUNUDCKDGNH-XXWNAHEMSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 7929515
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-[(1S)-1-(1-adamantyl)ethyl]-4-cyclopentyloxybenzamide
CID 7309799
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-[1-(1-adamantyl)ethyl]-N'-(4-aminobenzoyl)oxamide
CID 108509154
[2-(1-adamantyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500731
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 7769655) is N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide is C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is WMIYUNUDCKDGNH-XXWNAHEMSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(26)17-2-4-18(5-3-17)25-12-21-23-24-25/h2-5,12-16H,6-11H2,1H3,(H,22,26)/t13-,14?,15?,16?,20?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 7769655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).